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

Systemtic Name: methyl (2R,3S)-2-[(3,5-dinitrophenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-hydroxy-butanoate CAS Name: (2R,3S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-hydroxy-butyric acid methyl ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O8/c1-6(16)10(12(18)23-2)13-11(17)7-3-8(14(19)20)5-9(4-7)15(21)22/h3-6,10,16H,1-2H3,(H,13,17)/t6-,10+/m0/s1