[2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C22H14N2O4S MolecularWeight: 402.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O4S/c25-21(13-12-15-6-5-7-16(14-15)24(26)27)28-19-10-3-1-8-17(19)22-23-18-9-2-4-11-20(18)29-22/h1-14H/b13-12+