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

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5/c1-16-22(25(30)33-15-17-7-5-4-6-8-17)23(18-9-11-19(12-10-18)28(31)32)24-20(27-16)13-26(2,3)14-21(24)29/h4-13,23-24,27H,14-15H2,1-3H3