[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(aminocarbonylamino)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(aminocarbonylamino)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C17H16N4O6/c1-10(15(22)19-13-3-2-4-14(9-13)21(25)26)27-16(23)11-5-7-12(8-6-11)20-17(18)24/h2-10H,1H3,(H,19,22)(H3,18,20,24)