[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15FN4O6 MolecularWeight: 390.322603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN4O6/c1-9(15(23)20-12-5-6-13(18)14(8-12)22(26)27)28-16(24)10-3-2-4-11(7-10)21-17(19)25/h2-9H,1H3,(H,20,23)(H3,19,21,25)