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

Systemtic Name: methyl 1-(aminocarbonylamino)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-(4-nitrophenyl)-1-ureido-pyrrole-3-carboxylate CAS Name: 1-(carbamoylamino)-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)N)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)N)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-8-12(10-4-6-11(7-5-10)19(22)23)13(14(20)24-3)9(2)18(8)17-15(16)21/h4-7H,1-3H3,(H3,16,17,21)