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

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butyric acid ethyl ester Formula: C14H17N3O7 MolecularWeight: 339.30068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O7/c1-4-24-14(19)12(8(2)3)15-13(18)9-5-10(16(20)21)7-11(6-9)17(22)23/h5-8,12H,4H2,1-3H3,(H,15,18)