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

Systemtic Name: methyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(3,5-dinitrobenzoyl)amino]butanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-dinitrobenzoyl)amino]butanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]butyric acid methyl ester Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C(=O)OC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/c1-3-10(12(17)22-2)13-11(16)7-4-8(14(18)19)6-9(5-7)15(20)21/h4-6,10H,3H2,1-2H3,(H,13,16)/t10-/m0/s1