[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-12-4-9-19-15(10-12)11-18(13(2)22-19)21(26)29-14(3)20(25)23-16-5-7-17(8-6-16)24(27)28/h4-11,14H,1-3H3,(H,23,25)