ethyl 3,5-dimethyl-4-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(3-nitroanilino)-oxomethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(3-nitrophenyl)carbamoyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O5/c1-4-24-16(21)14-9(2)13(10(3)17-14)15(20)18-11-6-5-7-12(8-11)19(22)23/h5-8,17H,4H2,1-3H3,(H,18,20)