2-methyl-3-(3-nitrophenyl)pentanoate

Systemtic Name: 2-methyl-3-(3-nitrophenyl)pentanoate Openeye Name: 2-methyl-3-(3-nitrophenyl)pentanoate CAS Name: 2-methyl-3-(3-nitrophenyl)pentanoate IUPAC Name: 2-methyl-3-(3-nitrophenyl)pentanoate Traditional Name: 2-methyl-3-(3-nitrophenyl)valerate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-3-11(8(2)12(14)15)9-5-4-6-10(7-9)13(16)17/h4-8,11H,3H2,1-2H3,(H,14,15)/p-1