[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H19N3O4/c1-13-6-5-9-16(14(13)2)23-21(27)24-19(25)12-28-20(26)18-11-10-15-7-3-4-8-17(15)22-18/h3-11H,12H2,1-2H3,(H2,23,24,25,27)