4-methyl-3-[(2-nitrophenyl)methylazaniumyl]pentanoate

Systemtic Name: 4-methyl-3-[(2-nitrophenyl)methylazaniumyl]pentanoate Openeye Name: 4-methyl-3-[(2-nitrophenyl)methylammonio]pentanoate CAS Name: 4-methyl-3-[(2-nitrophenyl)methylammonio]pentanoate IUPAC Name: 4-methyl-3-[(2-nitrophenyl)methylazaniumyl]pentanoate Traditional Name: 4-methyl-3-[(2-nitrobenzyl)ammonio]valerate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-9(2)11(7-13(16)17)14-8-10-5-3-4-6-12(10)15(18)19/h3-6,9,11,14H,7-8H2,1-2H3,(H,16,17)