3-(3-chloranyl-4-methyl-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(3-chloro-4-methyl-phenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(3-chloro-4-methyl-phenyl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O4/c1-11-2-3-12(8-15(11)18)4-7-17(22)19-10-13-9-14(20(23)24)5-6-16(13)21/h2-3,5-6,8-9,21H,4,7,10H2,1H3,(H,19,22)