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

Systemtic Name: (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-4-methyl-pentanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-anilino)-4-methyl-pentanoate CAS Name: (2S)-2-(2-cyano-4-nitroanilino)-4-methylpentanoate IUPAC Name: (2S)-2-(2-cyano-4-nitroanilino)-4-methylpentanoate Traditional Name: (2S)-2-(2-cyano-4-nitro-anilino)-4-methyl-valerate Formula: C13H14N3O4- MolecularWeight: 276.26796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-8(2)5-12(13(17)18)15-11-4-3-10(16(19)20)6-9(11)7-14/h3-4,6,8,12,15H,5H2,1-2H3,(H,17,18)/p-1/t12-/m0/s1