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

Systemtic Name: (phenylmethyl) 7,7-dimethyl-2-methylidene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 7,7-dimethyl-2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7,7-dimethyl-2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7,7-dimethyl-2-methylidene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C27H26N2O7 MolecularWeight: 490.50454

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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=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)C1)C

InChI

InChI=1S/C27H26N2O7/c1-15-23(26(31)34-13-16-7-5-4-6-8-16)24(25-18(28-15)11-27(2,3)12-20(25)30)17-9-21-22(36-14-35-21)10-19(17)29(32)33/h4-10,23-24,28H,1,11-14H2,2-3H3