[2-(dimethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-20(2)18-19-15-8-7-14(11-16(15)26-18)25-17(22)9-6-12-4-3-5-13(10-12)21(23)24/h3-11H,1-2H3/b9-6+