ethyl 2-[(3,5-dinitrophenyl)carbonylamino]butanoate

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]butanoate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]butanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]butanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]butyric acid ethyl ester Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c1-3-11(13(18)23-4-2)14-12(17)8-5-9(15(19)20)7-10(6-8)16(21)22/h5-7,11H,3-4H2,1-2H3,(H,14,17)