[azanyl-[(2E)-2-[3-[(2R)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-5-bromanyl-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-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]azanium Openeye Name: [amino-[(2E)-2-[5-bromo-3-[(1R)-1-carboxy-3-hydroxy-3-oxo-propyl]-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylene]ammonium CAS Name: [amino-[(2E)-2-[5-bromo-3-[(2R)-1,4-dihydroxy-1,4-dioxobutan-2-yl]-6-oxo-1-cyclohexa-2,4-dienylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]ammonium IUPAC Name: [amino-[(2E)-2-[5-bromo-3-[(2R)-1,4-dihydroxy-1,4-dioxobutan-2-yl]-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylidene]azanium Traditional Name: [amino-[(2E)-2-[5-bromo-3-[(1R)-1-carboxy-3-hydroxy-3-keto-propyl]-6-keto-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazol-5-yl]methylene]ammonium Formula: C18H16BrN4O5+ MolecularWeight: 448.24744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=[NH2+])N)NC(=C3C=C(C=C(C3=O)Br)C(CC(=O)O)C(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=[NH2+])N)N/C(=C/3\C=C(C=C(C3=O)Br)[C@@H](CC(=O)O)C(=O)O)/N2

InChI

InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,22-23H,6H2,(H3,20,21)(H,24,25)(H,27,28)/p+1/b17-10+/t9-/m1/s1