methyl 2-ethyl-6,6-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 2-ethyl-6,6-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 2-ethyl-6,6-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-ethyl-6,6-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6,6-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-ethyl-5-keto-6,6-dimethyl-4-(3-nitrophenyl)-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-5-14-18(20(25)28-4)16(12-7-6-8-13(11-12)23(26)27)17-15(22-14)9-10-21(2,3)19(17)24/h6-8,11,16,22H,5,9-10H2,1-4H3