dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate

Systemtic Name: dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate Openeye Name: dimethyl 3,3-dimethyl-5-methylene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate CAS Name: 3,3-dimethyl-5-methylene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,3-dimethyl-5-methylidene-1-[(4-nitrophenyl)methyl]-2,4-dihydroazepine-6,7-dicarboxylate Traditional Name: 3,3-dimethyl-5-methylene-1-(4-nitrobenzyl)-2,4-dihydroazepine-6,7-dicarboxylic acid dimethyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C)C(=C(N(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1(CC(=C)C(=C(N(C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C20H24N2O6/c1-13-10-20(2,3)12-21(11-14-6-8-15(9-7-14)22(25)26)17(19(24)28-5)16(13)18(23)27-4/h6-9H,1,10-12H2,2-5H3