[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-bromanyl-6-methoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2-bromo-6-methoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-bromo-6-methoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-(3-amino-2-cyano-3-keto-prop-1-enyl)-2-bromo-6-methoxy-phenyl] ester Formula: C17H12BrN3O7S MolecularWeight: 482.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O7S/c1-27-15-8-10(6-11(9-19)17(20)22)7-14(18)16(15)28-29(25,26)13-4-2-12(3-5-13)21(23)24/h2-8H,1H3,(H2,20,22)