2-[methanoyl-(4-methyl-3-nitro-phenyl)amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[methanoyl-(4-methyl-3-nitro-phenyl)amino]-3-methyl-pentanoic acid Openeye Name: 2-(N-formyl-4-methyl-3-nitro-anilino)-3-methyl-pentanoic acid CAS Name: 2-(N-formyl-4-methyl-3-nitroanilino)-3-methylpentanoic acid IUPAC Name: 2-(N-formyl-4-methyl-3-nitroanilino)-3-methylpentanoic acid Traditional Name: 2-(N-formyl-4-methyl-3-nitro-anilino)-3-methyl-valeric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-9(2)13(14(18)19)15(8-17)11-6-5-10(3)12(7-11)16(20)21/h5-9,13H,4H2,1-3H3,(H,18,19)