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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H14N4O5S/c23-16(20-17-19-12-4-1-2-5-15(12)28-17)6-3-9-21-13-8-7-11(22(25)26)10-14(13)27-18(21)24/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,20,23)