2-[[(Z)-(3-butan-2-yl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 2-[[(Z)-(3-butan-2-yl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 2-[[(Z)-(6-oxo-3-sec-butyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 2-[[(Z)-(3-butan-2-yl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 2-[[(Z)-(3-butan-2-yl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 2-[[(Z)-(6-keto-3-sec-butyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CNC2=CC=CC=C2C(=O)O)C(=O)C=C1

Isomeric SMILES

CCC(C)C1=C/C(=C/NC2=CC=CC=C2C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C18H19NO3/c1-3-12(2)13-8-9-17(20)14(10-13)11-19-16-7-5-4-6-15(16)18(21)22/h4-12,19H,3H2,1-2H3,(H,21,22)/b14-11-