[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 6-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 6-methoxy-2-methyl-3-quinolinecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 6-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 6-methoxy-2-methyl-quinoline-3-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O6/c1-11-16(9-13-8-15(30-3)5-7-18(13)23-11)21(27)31-12(2)20(26)24-19-10-14(25(28)29)4-6-17(19)22/h4-10,12H,1-3H3,(H,24,26)