1-(2-methylbutoxy)-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-(2-methylbutoxy)-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-(2-methylbutoxy)-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-(2-methylbutoxy)-4-(3-nitrophenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-(2-methylbutoxy)-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-(2-methylbutoxy)-4-(3-nitrophenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1(C=CC(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C)COC1(C=CC(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21NO5/c1-3-13(2)12-24-18(17(20)21)9-7-14(8-10-18)15-5-4-6-16(11-15)19(22)23/h4-11,13-14H,3,12H2,1-2H3,(H,20,21)