O4-ethyl O3-methyl 2-methyl-1-[(3-nitropyridin-2-yl)amino]-5-phenyl-pyrrole-3,4-dicarboxylate

Systemtic Name: O4-ethyl O3-methyl 2-methyl-1-[(3-nitropyridin-2-yl)amino]-5-phenyl-pyrrole-3,4-dicarboxylate Openeye Name: O4-ethyl O3-methyl 2-methyl-1-[(3-nitro-2-pyridyl)amino]-5-phenyl-pyrrole-3,4-dicarboxylate CAS Name: 2-methyl-1-[(3-nitro-2-pyridinyl)amino]-5-phenylpyrrole-3,4-dicarboxylic acid O4-ethyl ester O3-methyl ester IUPAC Name: 4-O-ethyl 3-O-methyl 2-methyl-1-[(3-nitropyridin-2-yl)amino]-5-phenylpyrrole-3,4-dicarboxylate Traditional Name: 2-methyl-1-[(3-nitro-2-pyridyl)amino]-5-phenyl-pyrrole-3,4-dicarboxylic acid O4-ethyl ester O3-methyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OC)C)NC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OC)C)NC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O6/c1-4-31-21(27)17-16(20(26)30-3)13(2)24(18(17)14-9-6-5-7-10-14)23-19-15(25(28)29)11-8-12-22-19/h5-12H,4H2,1-3H3,(H,22,23)