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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6/c21-14-6-5-12(20(24)25)9-11(14)10-18-16(22)7-8-19-13-3-1-2-4-15(13)26-17(19)23/h1-6,9,21H,7-8,10H2,(H,18,22)