N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C19H16N4O6S/c1-28-12-5-6-13-16(10-12)30-18(20-13)21-17(24)3-2-8-22-14-7-4-11(23(26)27)9-15(14)29-19(22)25/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,24)