3,4-bis[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 3,4-bis[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 3,4-bis[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 3,4-bis[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 3,4-bis[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 3,4-bis[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=C(C=C(C=C2)C(=O)O)NC=C3C=CC=CC3=O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C/NC2=C(C=C(C=C2)C(=O)O)N/C=C\3/C=CC=CC3=O)/C(=O)C=C1

InChI

InChI=1S/C21H16N2O4/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25/h1-13,22-23H,(H,26,27)/b15-12-,16-13-