N-(5-nitro-1-propanoyl-2,1-benzothiazol-3-ylidene)propanamide

Systemtic Name: N-(5-nitro-1-propanoyl-2,1-benzothiazol-3-ylidene)propanamide Openeye Name: N-(5-nitro-1-propanoyl-2,1-benzothiazol-3-ylidene)propanamide CAS Name: N-[5-nitro-1-(1-oxopropyl)-2,1-benzothiazol-3-ylidene]propanamide IUPAC Name: N-(5-nitro-1-propanoyl-2,1-benzothiazol-3-ylidene)propanamide Traditional Name: N-(5-nitro-1-propionyl-2,1-benzothiazol-3-ylidene)propionamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CC

Isomeric SMILES

CCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CC

InChI

InChI=1S/C13H13N3O4S/c1-3-11(17)14-13-9-7-8(16(19)20)5-6-10(9)15(21-13)12(18)4-2/h5-7H,3-4H2,1-2H3