[2-[2-[2-(4-methyl-3-nitro-phenyl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[2-[2-(4-methyl-3-nitro-phenyl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[2-[[2-(4-methyl-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[2-[[2-[(4-methyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[[2-(4-methyl-3-nitrobenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-[2-[[2-(4-methyl-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]ethyl] ester Formula: C22H22N4O10 MolecularWeight: 502.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O10/c1-13-3-5-15(9-17(13)25(31)32)21(29)35-11-19(27)23-7-8-24-20(28)12-36-22(30)16-6-4-14(2)18(10-16)26(33)34/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)