(2S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-butanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-anilino)-3-methyl-butanoate CAS Name: (2S)-2-(2-cyano-4-nitroanilino)-3-methylbutanoate IUPAC Name: (2S)-2-(2-cyano-4-nitroanilino)-3-methylbutanoate Traditional Name: (2S)-2-(2-cyano-4-nitro-anilino)-3-methyl-butyrate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-7(2)11(12(16)17)14-10-4-3-9(15(18)19)5-8(10)6-13/h3-5,7,11,14H,1-2H3,(H,16,17)/p-1/t11-/m0/s1