(4-aminocarbonyl-2-nitro-phenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-8(19)11-4-12(17-6-11)15(21)24-7-10-3-2-9(14(16)20)5-13(10)18(22)23/h2-6,17H,7H2,1H3,(H2,16,20)