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

Systemtic Name: 2-[(2-aminocarbonyl-4-nitro-phenyl)amino]-2-methyl-pentanoic acid Openeye Name: 2-(2-carbamoyl-4-nitro-anilino)-2-methyl-pentanoic acid CAS Name: 2-(2-carbamoyl-4-nitroanilino)-2-methylpentanoic acid IUPAC Name: 2-(2-carbamoyl-4-nitroanilino)-2-methylpentanoic acid Traditional Name: 2-(2-carbamoyl-4-nitro-anilino)-2-methyl-valeric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-6-13(2,12(18)19)15-10-5-4-8(16(20)21)7-9(10)11(14)17/h4-5,7,15H,3,6H2,1-2H3,(H2,14,17)(H,18,19)