methyl 4-ethanoyl-2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]pyrrole-3-carboxylate

Systemtic Name: methyl 4-ethanoyl-2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]pyrrole-3-carboxylate Openeye Name: methyl 4-acetyl-2,5-dimethyl-1-[(3-nitro-2-pyridyl)amino]pyrrole-3-carboxylate CAS Name: 4-acetyl-2,5-dimethyl-1-[(3-nitro-2-pyridinyl)amino]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-2,5-dimethyl-1-[(3-nitropyridin-2-yl)amino]pyrrole-3-carboxylate Traditional Name: 4-acetyl-2,5-dimethyl-1-[(3-nitro-2-pyridyl)amino]pyrrole-3-carboxylic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC2=C(C=CC=N2)[N+](=O)[O-])C)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=C(N1NC2=C(C=CC=N2)[N+](=O)[O-])C)C(=O)OC)C(=O)C

InChI

InChI=1S/C15H16N4O5/c1-8-12(10(3)20)13(15(21)24-4)9(2)18(8)17-14-11(19(22)23)6-5-7-16-14/h5-7H,1-4H3,(H,16,17)