diethyl 3-methyl-5-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(3-nitroanilino)-oxomethyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-4-27-17(23)13-10(3)14(18(24)28-5-2)20-15(13)16(22)19-11-7-6-8-12(9-11)21(25)26/h6-9,20H,4-5H2,1-3H3,(H,19,22)