N-[2-(4-chlorophenyl)-4-oxidanyl-butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)-4-oxidanyl-butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-4-hydroxy-butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide CAS Name: N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-3-nitro-1-naphthalenecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-3-nitronaphthalene-1-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-4-hydroxy-butyl]-N-methyl-3-nitro-1-naphthamide Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCO)C1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(CC(CCO)C1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O4/c1-24(14-17(10-11-26)15-6-8-18(23)9-7-15)22(27)21-13-19(25(28)29)12-16-4-2-3-5-20(16)21/h2-9,12-13,17,26H,10-11,14H2,1H3