(phenylmethyl) 7,7-dimethyl-2-methylidene-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 7,7-dimethyl-2-methylidene-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 7,7-dimethyl-2-methylene-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7,7-dimethyl-2-methylene-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7,7-dimethyl-2-methylidene-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-(4-nitrophenyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

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/h4-12,22-23,27H,1,13-15H2,2-3H3