[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O5/c1-3-17-20(13(2)16-9-4-5-10-18(16)23-17)21(26)29-12-19(25)22-14-7-6-8-15(11-14)24(27)28/h4-11H,3,12H2,1-2H3,(H,22,25)