4-[(3,5-dinitrophenyl)carbonylamino]butanoate

Systemtic Name: 4-[(3,5-dinitrophenyl)carbonylamino]butanoate Openeye Name: 4-[(3,5-dinitrobenzoyl)amino]butanoate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(3,5-dinitrobenzoyl)amino]butanoate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]butyrate Formula: C11H10N3O7- MolecularWeight: 296.213

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C11H11N3O7/c15-10(16)2-1-3-12-11(17)7-4-8(13(18)19)6-9(5-7)14(20)21/h4-6H,1-3H2,(H,12,17)(H,15,16)/p-1