2-[[7-[2-(3-nitrophenyl)carbonyloxyethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl 3-nitrobenzoate

Systemtic Name: 2-[[7-[2-(3-nitrophenyl)carbonyloxyethylamino]-7-oxidanylidene-heptanoyl]amino]ethyl 3-nitrobenzoate Openeye Name: 2-[[7-[2-(3-nitrobenzoyl)oxyethylamino]-7-oxo-heptanoyl]amino]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-[[7-[2-[(3-nitrophenyl)-oxomethoxy]ethylamino]-1,7-dioxoheptyl]amino]ethyl ester IUPAC Name: 2-[[7-[2-(3-nitrobenzoyl)oxyethylamino]-7-oxoheptanoyl]amino]ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-[[7-keto-7-[2-(3-nitrobenzoyl)oxyethylamino]heptanoyl]amino]ethyl ester Formula: C25H28N4O10 MolecularWeight: 544.51062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O10/c30-22(26-12-14-38-24(32)18-6-4-8-20(16-18)28(34)35)10-2-1-3-11-23(31)27-13-15-39-25(33)19-7-5-9-21(17-19)29(36)37/h4-9,16-17H,1-3,10-15H2,(H,26,30)(H,27,31)