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

Systemtic Name: [2-[2-[2-(4-methoxy-3-nitro-phenyl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[2-[[2-(4-methoxy-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[2-[[2-[(4-methoxy-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[[2-(4-methoxy-3-nitrobenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-keto-2-[2-[[2-(4-methoxy-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]ethyl] ester Formula: C22H22N4O12 MolecularWeight: 534.42968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O12/c1-35-17-5-3-13(9-15(17)25(31)32)21(29)37-11-19(27)23-7-8-24-20(28)12-38-22(30)14-4-6-18(36-2)16(10-14)26(33)34/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)