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

Systemtic Name: cyclohexyl (4S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)CCC2

InChI

InChI=1S/C24H26N2O7/c1-13-21(24(28)33-14-6-3-2-4-7-14)22(23-16(25-13)8-5-9-18(23)27)15-10-19-20(32-12-31-19)11-17(15)26(29)30/h10-11,14,21-22H,2-9,12H2,1H3/t21?,22-/m1/s1