[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-bromanylbenzoate

Systemtic Name: [4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(3-amino-2-cyano-3-keto-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H13BrN2O4/c1-24-16-9-11(8-13(10-20)17(21)22)2-7-15(16)25-18(23)12-3-5-14(19)6-4-12/h2-9H,1H3,(H2,21,22)