2-[[7-[2-(4-nitrophenyl)carbonyloxyethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[[7-[2-(4-nitrophenyl)carbonyloxyethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl 4-nitrobenzoate Openeye Name: 2-[[7-[2-(4-nitrobenzoyl)oxyethylamino]-7-oxo-heptanoyl]amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[7-[2-[(4-nitrophenyl)-oxomethoxy]ethylamino]-1,7-dioxoheptyl]amino]ethyl ester IUPAC Name: 2-[[7-[2-(4-nitrobenzoyl)oxyethylamino]-7-oxoheptanoyl]amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[[7-keto-7-[2-(4-nitrobenzoyl)oxyethylamino]heptanoyl]amino]ethyl ester Formula: C25H28N4O10 MolecularWeight: 544.51062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O10/c30-22(26-14-16-38-24(32)18-6-10-20(11-7-18)28(34)35)4-2-1-3-5-23(31)27-15-17-39-25(33)19-8-12-21(13-9-19)29(36)37/h6-13H,1-5,14-17H2,(H,26,30)(H,27,31)