[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H18FN3O6 MolecularWeight: 391.350423

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O6/c1-27-9-8-20-15-7-2-12(10-16(15)22(25)26)18(24)28-11-17(23)21-14-5-3-13(19)4-6-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,23)