[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H16FN3O7 MolecularWeight: 405.333943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H16FN3O7/c1-28-15-7-6-13(22(26)27)8-14(15)18(25)29-10-17(24)20-9-16(23)21-12-4-2-11(19)3-5-12/h2-8H,9-10H2,1H3,(H,20,24)(H,21,23)