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

Systemtic Name: methyl 1-(aminocarbonylamino)-2-azanylidene-5-methyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-7-10(13(20)24-2)11(12(15)18(7)17-14(16)21)8-3-5-9(6-4-8)19(22)23/h3-6,11,15H,1-2H3,(H3,16,17,21)