methyl 6-[(3,5-dinitrophenyl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(3,5-dinitrophenyl)carbonylamino]hexanoate Openeye Name: methyl 6-[(3,5-dinitrobenzoyl)amino]hexanoate CAS Name: 6-[[(3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3,5-dinitrobenzoyl)amino]hexanoate Traditional Name: 6-[(3,5-dinitrobenzoyl)amino]hexanoic acid methyl ester Formula: C14H17N3O7 MolecularWeight: 339.30068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O7/c1-24-13(18)5-3-2-4-6-15-14(19)10-7-11(16(20)21)9-12(8-10)17(22)23/h7-9H,2-6H2,1H3,(H,15,19)