ethyl 1-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 1-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-oxo-cyclopentanecarboxylate CAS Name: 1-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-cyano-3-(methylamino)-4-nitrophenyl]-2-oxocyclopentane-1-carboxylate Traditional Name: 1-[2-cyano-3-(methylamino)-4-nitro-phenyl]-2-keto-cyclopentanecarboxylic acid ethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1=O)C2=C(C(=C(C=C2)[N+](=O)[O-])NC)C#N

Isomeric SMILES

CCOC(=O)C1(CCCC1=O)C2=C(C(=C(C=C2)[N+](=O)[O-])NC)C#N

InChI

InChI=1S/C16H17N3O5/c1-3-24-15(21)16(8-4-5-13(16)20)11-6-7-12(19(22)23)14(18-2)10(11)9-17/h6-7,18H,3-5,8H2,1-2H3