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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4-methyl-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-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C19H16N4O5S/c1-11-4-2-5-15-17(11)21-18(29-15)20-16(24)6-3-9-22-13-8-7-12(23(26)27)10-14(13)28-19(22)25/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,20,21,24)