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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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