(4-aminocarbonyl-2-nitro-phenyl)methyl 2,5-dimethyl-1-pyridin-2-yl-pyrrole-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2,5-dimethyl-1-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2,5-dimethyl-1-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-pyridyl)pyrrole-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-12-9-16(13(2)23(12)18-5-3-4-8-22-18)20(26)29-11-15-7-6-14(19(21)25)10-17(15)24(27)28/h3-10H,11H2,1-2H3,(H2,21,25)