[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-bromanylbenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C18H12BrNO4 MolecularWeight: 386.19618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CC=C1)OC(=O)C2=CC(=CC=C2)Br)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)C2=CC(=CC=C2)Br)/C#N

InChI

InChI=1S/C18H12BrNO4/c1-23-17(21)14(11-20)8-12-4-2-7-16(9-12)24-18(22)13-5-3-6-15(19)10-13/h2-10H,1H3/b14-8+