2-[butyl-[2-(4-nitrophenyl)carbonyloxyethyl]amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[butyl-[2-(4-nitrophenyl)carbonyloxyethyl]amino]ethyl 4-nitrobenzoate Openeye Name: 2-[butyl-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[butyl-[2-[(4-nitrophenyl)-oxomethoxy]ethyl]amino]ethyl ester IUPAC Name: 2-[butyl-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[butyl-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8/c1-2-3-12-23(13-15-32-21(26)17-4-8-19(9-5-17)24(28)29)14-16-33-22(27)18-6-10-20(11-7-18)25(30)31/h4-11H,2-3,12-16H2,1H3