2-[(4-cyano-2-nitro-phenyl)amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(4-cyano-2-nitro-phenyl)amino]-2-methyl-pentanoic acid Openeye Name: 2-(4-cyano-2-nitro-anilino)-2-methyl-pentanoic acid CAS Name: 2-(4-cyano-2-nitroanilino)-2-methylpentanoic acid IUPAC Name: 2-(4-cyano-2-nitroanilino)-2-methylpentanoic acid Traditional Name: 2-(4-cyano-2-nitro-anilino)-2-methyl-valeric acid Formula: C13H15N3O4 MolecularWeight: 277.2759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-3-6-13(2,12(17)18)15-10-5-4-9(8-14)7-11(10)16(19)20/h4-5,7,15H,3,6H2,1-2H3,(H,17,18)