phenethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H28N2O7 MolecularWeight: 552.57392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCCC6=CC=CC=C6

InChI

InChI=1S/C32H28N2O7/c1-19-29(32(36)39-13-12-20-8-4-2-5-9-20)30(23-16-27-28(41-18-40-27)17-25(23)34(37)38)31-24(33-19)14-22(15-26(31)35)21-10-6-3-7-11-21/h2-11,14,16-17,22,30-31,33H,12-13,15,18H2,1H3