[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

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