4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline; benzoic acid

Systemtic Name: 4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline; benzoic acid Openeye Name: 4-[(4-aminophenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline; benzoic acid CAS Name: 4-[(4-aminophenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]aniline; benzoic acid IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline; benzoic acid Traditional Name: [4-[(4-aminophenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine; benzoic acid Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C20H19N3.C7H6O2/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;8-7(9)6-4-2-1-3-5-6/h2-12,23H,21-22H2,1H3;1-5H,(H,8,9)