[azanyl-[(2E)-2-[3-[(2R)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-5-(2-methoxyphenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]azanium

Systemtic Name: [azanyl-[(2E)-2-[3-[(2R)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-5-(2-methoxyphenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]azanium Openeye Name: [amino-[(2E)-2-[3-[(1R)-1-carboxy-3-hydroxy-3-oxo-propyl]-5-(2-methoxyphenyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylene]ammonium CAS Name: [amino-[(2E)-2-[3-[(2R)-1,4-dihydroxy-1,4-dioxobutan-2-yl]-5-(2-methoxyphenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]ammonium IUPAC Name: [amino-[(2E)-2-[3-[(2R)-1,4-dihydroxy-1,4-dioxobutan-2-yl]-5-(2-methoxyphenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]azanium Traditional Name: [amino-[(2E)-2-[3-[(1R)-1-carboxy-3-hydroxy-3-keto-propyl]-6-keto-5-(2-methoxyphenyl)cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylene]ammonium Formula: C25H23N4O6+ MolecularWeight: 475.47332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=CC(=C3NC4=C(N3)C=C(C=C4)C(=[NH2+])N)C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=[NH2+])N)/C2=O)[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,28-29H,11H2,1H3,(H3,26,27)(H,30,31)(H,33,34)/p+1/b24-17+/t15-/m1/s1