1,3-benzothiazol-2-ylmethyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c20-17(10-9-12-5-1-3-7-14(12)19(21)22)23-11-16-18-13-6-2-4-8-15(13)24-16/h1-10H,11H2/b10-9+