ethyl 3-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O6/c1-3-29-19(26)13-7-12(8-16(9-13)23(27)28)18(25)22(2)11-17(24)21-15-6-4-5-14(20)10-15/h4-10H,3,11H2,1-2H3,(H,21,24)