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3-nitro-2-[(phenylmethyl)azaniumyl]pentanoate

3-nitro-2-[(phenylmethyl)azaniumyl]pentanoate

Systemtic Name:3-nitro-2-[(phenylmethyl)azaniumyl]pentanoate
Openeye Name:2-(benzylammonio)-3-nitro-pentanoate
CAS Name:3-nitro-2-[(phenylmethyl)ammonio]pentanoate
IUPAC Name:2-(benzylazaniumyl)-3-nitropentanoate
Traditional Name:2-(benzylammonio)-3-nitro-valerate
Formula: C12H16N2O4
MolecularWeight: 252.26644
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H16N2O4/c1-2-10(14(17)18)11(12(15)16)13-8-9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,15,16)


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