ethyl 3,5-dimethyl-4-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(5-nitro-2-oxo-1-pyridyl)acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(5-nitro-2-oxopyridin-1-yl)acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(2-keto-5-nitro-1-pyridyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O6/c1-4-25-16(22)15-9(2)14(10(3)17-15)12(20)8-18-7-11(19(23)24)5-6-13(18)21/h5-7,17H,4,8H2,1-3H3