2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carbonitrile Openeye Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carbonitrile CAS Name: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carbonitrile Traditional Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carbonitrile Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C1)OC(=C(C(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N)N)C

Isomeric SMILES

CC1(CC2=C(C1)OC(=C(C(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N)N)C

InChI

InChI=1S/C18H16ClN3O4/c1-18(2)6-11-14(7-18)26-17(21)12(8-20)15(16(11)23)10-5-9(22(24)25)3-4-13(10)19/h3-5,15H,6-7,21H2,1-2H3