2-(octanoylamino)ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-(octanoylamino)ethyl 3,5-dinitrobenzoate Openeye Name: 2-(octanoylamino)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(1-oxooctylamino)ethyl ester IUPAC Name: 2-(octanoylamino)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(caprylylamino)ethyl ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)NCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-2-3-4-5-6-7-16(21)18-8-9-27-17(22)13-10-14(19(23)24)12-15(11-13)20(25)26/h10-12H,2-9H2,1H3,(H,18,21)