[2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-(3-methylphenoxy)ethanoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-(3-methylphenoxy)ethanoate Openeye Name: [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OC2=C(C=C(C=C2Br)C=C[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OC2=C(C=C(C=C2Br)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C18H16BrNO6/c1-12-4-3-5-14(8-12)25-11-17(21)26-18-15(19)9-13(6-7-20(22)23)10-16(18)24-2/h3-10H,11H2,1-2H3/b7-6+