[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O6/c1-13(2)9-10-23-19(26)12-31-21(28)16-5-3-4-6-18(16)24-20(27)15-8-7-14(25(29)30)11-17(15)22/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,26)(H,24,27)