[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C19H20FN3O6 MolecularWeight: 405.377003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O6/c1-3-22(10-12-4-7-17(28-2)14(20)8-12)18(24)11-29-19(25)13-5-6-15(21)16(9-13)23(26)27/h4-9H,3,10-11,21H2,1-2H3