N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butyramide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N3O3S/c1-3-4-11(16)13-12-14(2)9-7-8(15(17)18)5-6-10(9)19-12/h5-7H,3-4H2,1-2H3