4-[[3-[(3,4-dimethylphenyl)carbamoyl]-7-oxidanylidene-chromen-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(3,4-dimethylphenyl)carbamoyl]-7-oxidanylidene-chromen-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(3,4-dimethylphenyl)carbamoyl]-7-oxo-chromen-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(3,4-dimethylanilino)-oxomethyl]-7-oxo-1-benzopyran-2-yl]amino]benzoic acid IUPAC Name: 4-[[3-[(3,4-dimethylphenyl)carbamoyl]-7-oxochromen-2-yl]amino]benzoic acid Traditional Name: 4-[[3-[(3,4-dimethylphenyl)carbamoyl]-7-keto-chromen-2-yl]amino]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H20N2O5/c1-14-3-7-19(11-15(14)2)26-23(29)21-12-17-6-10-20(28)13-22(17)32-24(21)27-18-8-4-16(5-9-18)25(30)31/h3-13,27H,1-2H3,(H,26,29)(H,30,31)