[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-ureidobutanoate CAS Name: 4-(carbamoylamino)butanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-(carbamoylamino)butanoate Traditional Name: 4-ureidobutyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CCCNC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CCCNC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c14-13(20)15-7-3-6-12(19)23-8-11(18)16-9-4-1-2-5-10(9)17(21)22/h1-2,4-5H,3,6-8H2,(H,16,18)(H3,14,15,20)