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

Systemtic Name: (3-nitrophenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (3-nitrophenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (3-nitrophenyl) ester Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O4S/c19-16(22-12-5-3-4-11(10-12)18(20)21)9-8-15-17-13-6-1-2-7-14(13)23-15/h1-10H/b9-8+