[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C20H27NO5/c1-3-4-5-15-6-9-17(10-7-15)20(22)26-18-11-8-16(12-13-21(23)24)14-19(18)25-2/h8,11-15,17H,3-7,9-10H2,1-2H3/b13-12+