3-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: 3-[(4-chloro-3-nitro-phenyl)methylammonio]-4-methyl-pentanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methylammonio]-4-methylpentanoate IUPAC Name: 3-[(4-chloro-3-nitrophenyl)methylazaniumyl]-4-methylpentanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)ammonio]-4-methyl-valerate Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN2O4/c1-8(2)11(6-13(17)18)15-7-9-3-4-10(14)12(5-9)16(19)20/h3-5,8,11,15H,6-7H2,1-2H3,(H,17,18)