N-[3-(3-methylphenoxy)propyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[3-(3-methylphenoxy)propyl]-4-nitro-benzamide CAS Name: 3-hydroxy-N-[3-(3-methylphenoxy)propyl]-4-nitrobenzamide IUPAC Name: 3-hydroxy-N-[3-(3-methylphenoxy)propyl]-4-nitrobenzamide Traditional Name: 3-hydroxy-N-[3-(3-methylphenoxy)propyl]-4-nitro-benzamide Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-12-4-2-5-14(10-12)24-9-3-8-18-17(21)13-6-7-15(19(22)23)16(20)11-13/h2,4-7,10-11,20H,3,8-9H2,1H3,(H,18,21)