[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-propan-2-ylphenoxy)butanoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-propan-2-ylphenoxy)butanoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4-(4-isopropylphenoxy)butanoate CAS Name: 4-(4-propan-2-ylphenoxy)butanoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4-(4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropylphenoxy)butyric acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C22H25NO6/c1-16(2)18-7-9-19(10-8-18)28-14-4-5-22(24)29-20-11-6-17(12-13-23(25)26)15-21(20)27-3/h6-13,15-16H,4-5,14H2,1-3H3/b13-12+