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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-methoxy-4-nitro-anilino)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=C(C=C(C=C1)[N+](=O)[O-])OC)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC(=O)C2=CC=CC=C2F

InChI

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