ethyl 1-(aminocarbonylamino)-2-azanylidene-5-methyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-2-azanylidene-5-methyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 2-imino-5-methyl-3-(4-nitrophenyl)-1-ureido-3H-pyrrole-4-carboxylate CAS Name: 1-(carbamoylamino)-2-imino-5-methyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(carbamoylamino)-2-imino-5-methyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylate Traditional Name: 5-imino-2-methyl-4-(4-nitrophenyl)-1-ureido-2-pyrroline-3-carboxylic acid ethyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O5/c1-3-25-14(21)11-8(2)19(18-15(17)22)13(16)12(11)9-4-6-10(7-5-9)20(23)24/h4-7,12,16H,3H2,1-2H3,(H3,17,18,22)