methyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-(2,4-dinitroanilino)-3-methyl-butanoate CAS Name: (2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,4-dinitroanilino)-3-methylbutanoate Traditional Name: (2S)-2-(2,4-dinitroanilino)-3-methyl-butyric acid methyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-7(2)11(12(16)21-3)13-9-5-4-8(14(17)18)6-10(9)15(19)20/h4-7,11,13H,1-3H3/t11-/m0/s1