(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitro-phenyl)acrylonitrile Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O3S/c1-23-15-7-6-11(9-14(15)20(21)22)8-12(10-18)17-19-13-4-2-3-5-16(13)24-17/h2-9H,1H3/b12-8-