N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C19H16N4O7S MolecularWeight: 444.41794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC=C)OC

InChI

InChI=1S/C19H16N4O7S/c1-4-5-21-14-9-15(29-2)16(30-3)10-17(14)31-19(21)20-18(24)11-6-12(22(25)26)8-13(7-11)23(27)28/h4,6-10H,1,5H2,2-3H3