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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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