[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C16H13FN4O6 MolecularWeight: 376.296023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4O6/c17-10-3-1-2-4-12(10)19-16(24)20-14(22)8-27-15(23)9-5-6-11(18)13(7-9)21(25)26/h1-7H,8,18H2,(H2,19,20,22,24)