N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N2C

InChI

InChI=1S/C16H13N3O3S/c1-10-6-5-9-13-14(10)18(2)16(23-13)17-15(20)11-7-3-4-8-12(11)19(21)22/h3-9H,1-2H3