phenethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-nitrophenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5/c1-17-23(26(31)34-13-12-18-8-5-4-6-9-18)24(19-10-7-11-20(14-19)29(32)33)25-21(28-17)15-27(2,3)16-22(25)30/h4-11,14-15,24-25,28H,12-13,16H2,1-3H3