methyl 3-[2,5-dimethyl-3-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(5-nitro-2-oxo-1-pyridyl)acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(5-nitro-2-oxopyridin-1-yl)acetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(2-keto-5-nitro-1-pyridyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-11-8-14(12(2)19(11)7-6-17(23)26-3)15(21)10-18-9-13(20(24)25)4-5-16(18)22/h4-5,8-9H,6-7,10H2,1-3H3