[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H24BrN3O8 MolecularWeight: 538.34526

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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-])Br)NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O8/c1-12(2)20(25-21(28)13-7-15(32-3)10-16(8-13)33-4)22(29)34-11-19(27)24-18-6-5-14(26(30)31)9-17(18)23/h5-10,12,20H,11H2,1-4H3,(H,24,27)(H,25,28)