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

Systemtic Name: 2-chloranyl-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Openeye Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: N-(3-allyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide Formula: C19H16ClN3O5S MolecularWeight: 433.86544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5S/c1-4-7-22-14-9-15(27-2)16(28-3)10-17(14)29-19(22)21-18(24)12-8-11(23(25)26)5-6-13(12)20/h4-6,8-10H,1,7H2,2-3H3