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

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O6/c1-12-9-13(3-8-16(12)23(27)28)19(26)29-11-18(25)22(2)10-17(24)21-15-6-4-14(20)5-7-15/h3-9H,10-11H2,1-2H3,(H,21,24)