4-(3-methylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(3-methylphenoxy)butanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(3-methylphenoxy)butanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(3-methylphenoxy)butyramide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H20N2O5/c1-13-4-2-5-16(10-13)25-9-3-6-18(22)19-12-14-11-15(20(23)24)7-8-17(14)21/h2,4-5,7-8,10-11,21H,3,6,9,12H2,1H3,(H,19,22)