N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O6/c22-15-8-7-13(21(25)26)10-12(15)11-19-17(23)6-3-9-20-14-4-1-2-5-16(14)27-18(20)24/h1-2,4-5,7-8,10,22H,3,6,9,11H2,(H,19,23)