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

Systemtic Name: [2-[2-[2-(4-azanyl-3-nitro-phenyl)carbonyloxyethanoylamino]ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-[[2-(4-amino-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-[[2-[(4-amino-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[[2-(4-amino-3-nitrobenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[2-[[2-(4-amino-3-nitro-benzoyl)oxyacetyl]amino]ethylamino]-2-keto-ethyl] ester Formula: C20H20N6O10 MolecularWeight: 504.407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NCCNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C20H20N6O10/c21-13-3-1-11(7-15(13)25(31)32)19(29)35-9-17(27)23-5-6-24-18(28)10-36-20(30)12-2-4-14(22)16(8-12)26(33)34/h1-4,7-8H,5-6,9-10,21-22H2,(H,23,27)(H,24,28)