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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O6/c1-12-2-5-14(10-16(12)20)22-17(24)11-29-18(25)8-9-21-19(26)13-3-6-15(7-4-13)23(27)28/h2-7,10H,8-9,11H2,1H3,(H,21,26)(H,22,24)