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

Systemtic Name: 2-chloranyl-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Openeye Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC=C

InChI

InChI=1S/C19H16ClN3O4S/c1-3-9-22-16-8-6-13(27-4-2)11-17(16)28-19(22)21-18(24)14-10-12(23(25)26)5-7-15(14)20/h3,5-8,10-11H,1,4,9H2,2H3