2-azanyl-5-[(E)-(4-azanylidene-3-carboxy-cyclohexa-2,5-dien-1-ylidene)-(4-methoxyphenyl)methyl]benzoic acid

Systemtic Name: 2-azanyl-5-[(E)-(4-azanylidene-3-carboxy-cyclohexa-2,5-dien-1-ylidene)-(4-methoxyphenyl)methyl]benzoic acid Openeye Name: 2-amino-5-[(E)-(3-carboxy-4-imino-cyclohexa-2,5-dien-1-ylidene)-(4-methoxyphenyl)methyl]benzoic acid CAS Name: 2-amino-5-[(E)-(3-carboxy-4-imino-1-cyclohexa-2,5-dienylidene)-(4-methoxyphenyl)methyl]benzoic acid IUPAC Name: 2-amino-5-[(E)-(3-carboxy-4-iminocyclohexa-2,5-dien-1-ylidene)-(4-methoxyphenyl)methyl]benzoic acid Traditional Name: 2-amino-5-[(E)-(3-carboxy-4-imino-cyclohexa-2,5-dien-1-ylidene)-(4-methoxyphenyl)methyl]benzoic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2C=CC(=N)C(=C2)C(=O)O)C3=CC(=C(C=C3)N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\2/C=CC(=N)C(=C2)C(=O)O)/C3=CC(=C(C=C3)N)C(=O)O

InChI

InChI=1S/C22H18N2O5/c1-29-15-6-2-12(3-7-15)20(13-4-8-18(23)16(10-13)21(25)26)14-5-9-19(24)17(11-14)22(27)28/h2-11,23H,24H2,1H3,(H,25,26)(H,27,28)/b20-13+,23-18?