cyclohexylmethyl 2-methyl-4-(1-methyl-5-nitro-imidazol-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexylmethyl 2-methyl-4-(1-methyl-5-nitro-imidazol-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexylmethyl 2-methyl-4-(1-methyl-5-nitro-imidazol-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(1-methyl-5-nitro-2-imidazolyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-methyl-4-(1-methyl-5-nitroimidazol-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(1-methyl-5-nitro-imidazol-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexylmethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=NC=C(N3C)[N+](=O)[O-])C(=O)OCC4CCCCC4

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=NC=C(N3C)[N+](=O)[O-])C(=O)OCC4CCCCC4

InChI

InChI=1S/C22H28N4O5/c1-13-18(22(28)31-12-14-7-4-3-5-8-14)20(19-15(24-13)9-6-10-16(19)27)21-23-11-17(25(21)2)26(29)30/h11,14,20,24H,3-10,12H2,1-2H3