7-(4-methanoyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)heptanoic acid

Systemtic Name: 7-(4-methanoyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)heptanoic acid Openeye Name: 7-(4-formyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)heptanoic acid CAS Name: 7-(4-formyl-2-methyl-4-nitro-1-cyclohexa-2,5-dienyl)heptanoic acid IUPAC Name: 7-(4-formyl-2-methyl-4-nitrocyclohexa-2,5-dien-1-yl)heptanoic acid Traditional Name: 7-(4-formyl-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)enanthic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=CC1CCCCCCC(=O)O)(C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C=CC1CCCCCCC(=O)O)(C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-12-10-15(11-17,16(20)21)9-8-13(12)6-4-2-3-5-7-14(18)19/h8-11,13H,2-7H2,1H3,(H,18,19)