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

Systemtic Name: 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-7-oxidanylidene-chromen-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-7-oxo-chromen-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(3,4-dimethoxyanilino)-oxomethyl]-7-oxo-1-benzopyran-2-yl]amino]benzoic acid IUPAC Name: 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-7-oxochromen-2-yl]amino]benzoic acid Traditional Name: 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-7-keto-chromen-2-yl]amino]benzoic acid Formula: C25H20N2O7 MolecularWeight: 460.4355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(OC3=CC(=O)C=CC3=C2)NC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H20N2O7/c1-32-20-10-8-17(12-22(20)33-2)26-23(29)19-11-15-5-9-18(28)13-21(15)34-24(19)27-16-6-3-14(4-7-16)25(30)31/h3-13,27H,1-2H3,(H,26,29)(H,30,31)