2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methyl-valeric acid Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-7(2)5-11(13(18)19)15-12(17)9-4-3-8(16(20)21)6-10(9)14/h3-4,6-7,11H,5H2,1-2H3,(H,15,17)(H,18,19)