4-[(4-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-methoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methoxycarbonylanilino)-4-oxo-butanoic acid CAS Name: 4-(4-methoxycarbonylanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-methoxycarbonylanilino)-4-oxobutanoic acid Traditional Name: 4-(4-carbomethoxyanilino)-4-keto-butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H13NO5/c1-18-12(17)8-2-4-9(5-3-8)13-10(14)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)