4-[(3-methylphenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: 4-[(3-methylphenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: 2,3-dibenzoyloxy-4-(3-methylanilino)-4-oxo-butanoate CAS Name: 2,3-dibenzoyloxy-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: 2,3-dibenzoyloxy-4-(3-methylanilino)-4-oxobutanoate Traditional Name: 2,3-dibenzoyloxy-4-keto-4-(m-toluidino)butyrate Formula: C25H20NO7- MolecularWeight: 446.4288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21NO7/c1-16-9-8-14-19(15-16)26-22(27)20(32-24(30)17-10-4-2-5-11-17)21(23(28)29)33-25(31)18-12-6-3-7-13-18/h2-15,20-21H,1H3,(H,26,27)(H,28,29)/p-1