ethyl 2-azanyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate Openeye Name: ethyl 2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate CAS Name: 2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(2-nitrophenyl)-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carboxylic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(CC(C2)(C)C)C(=O)C1C3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(CC(C2)(C)C)C(=O)C1C3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C20H22N2O6/c1-4-27-19(24)16-15(11-7-5-6-8-13(11)22(25)26)17(23)12-9-20(2,3)10-14(12)28-18(16)21/h5-8,15H,4,9-10,21H2,1-3H3