[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22FN3O7 MolecularWeight: 447.413683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H22FN3O7/c1-12(2)19(24-20(27)13-4-7-15(31-3)8-5-13)21(28)32-11-18(26)23-14-6-9-16(22)17(10-14)25(29)30/h4-10,12,19H,11H2,1-3H3,(H,23,26)(H,24,27)