2-[[8-[2-(4-nitrophenyl)carbonyloxyethylamino]-8-oxidanylidene-octanoyl]amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[[8-[2-(4-nitrophenyl)carbonyloxyethylamino]-8-oxidanylidene-octanoyl]amino]ethyl 4-nitrobenzoate Openeye Name: 2-[[8-[2-(4-nitrobenzoyl)oxyethylamino]-8-oxo-octanoyl]amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[8-[2-[(4-nitrophenyl)-oxomethoxy]ethylamino]-1,8-dioxooctyl]amino]ethyl ester IUPAC Name: 2-[[8-[2-(4-nitrobenzoyl)oxyethylamino]-8-oxooctanoyl]amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[[8-keto-8-[2-(4-nitrobenzoyl)oxyethylamino]octanoyl]amino]ethyl ester Formula: C26H30N4O10 MolecularWeight: 558.5372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCNC(=O)CCCCCCC(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCNC(=O)CCCCCCC(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O10/c31-23(27-15-17-39-25(33)19-7-11-21(12-8-19)29(35)36)5-3-1-2-4-6-24(32)28-16-18-40-26(34)20-9-13-22(14-10-20)30(37)38/h7-14H,1-6,15-18H2,(H,27,31)(H,28,32)