ethyl 1-(aminocarbonylamino)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-ureido-pyrrole-3-carboxylate CAS Name: 1-(carbamoylamino)-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(carbamoylamino)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-ureido-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)N)C

InChI

InChI=1S/C16H18N4O5/c1-4-25-15(21)14-10(3)19(18-16(17)22)9(2)13(14)11-5-7-12(8-6-11)20(23)24/h5-8H,4H2,1-3H3,(H3,17,18,22)