3-(4-methylphenyl)-4-nitro-heptanedioic acid

Systemtic Name: 3-(4-methylphenyl)-4-nitro-heptanedioic acid Openeye Name: 4-nitro-3-(p-tolyl)heptanedioic acid CAS Name: 3-(4-methylphenyl)-4-nitroheptanedioic acid IUPAC Name: 3-(4-methylphenyl)-4-nitroheptanedioic acid Traditional Name: 4-nitro-3-(p-tolyl)pimelic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-9-2-4-10(5-3-9)11(8-14(18)19)12(15(20)21)6-7-13(16)17/h2-5,11-12H,6-8H2,1H3,(H,16,17)(H,18,19)