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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(2-hydroxy-4-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)O

InChI

InChI=1S/C18H17N3O6/c1-11-4-6-13(15(22)9-11)19-17(23)3-2-8-20-14-7-5-12(21(25)26)10-16(14)27-18(20)24/h4-7,9-10,22H,2-3,8H2,1H3,(H,19,23)