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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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