(2R)-2-[(4,5-dicyano-2-nitro-phenyl)amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(4,5-dicyano-2-nitro-phenyl)amino]-3-methyl-butanoate Openeye Name: (2R)-2-(4,5-dicyano-2-nitro-anilino)-3-methyl-butanoate CAS Name: (2R)-2-(4,5-dicyano-2-nitroanilino)-3-methylbutanoate IUPAC Name: (2R)-2-(4,5-dicyano-2-nitroanilino)-3-methylbutanoate Traditional Name: (2R)-2-(4,5-dicyano-2-nitro-anilino)-3-methyl-butyrate Formula: C13H11N4O4- MolecularWeight: 287.25084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4/c1-7(2)12(13(18)19)16-10-3-8(5-14)9(6-15)4-11(10)17(20)21/h3-4,7,12,16H,1-2H3,(H,18,19)/p-1/t12-/m1/s1