[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22FN3O7 MolecularWeight: 447.413683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F)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)23-17-10-14(25(29)30)6-9-16(17)22/h4-10,12,19H,11H2,1-3H3,(H,23,26)(H,24,27)