[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6/c1-23(12-14-3-2-4-16(21)11-14)18(25)13-30-19(26)9-10-22-20(27)15-5-7-17(8-6-15)24(28)29/h2-8,11H,9-10,12-13H2,1H3,(H,22,27)