N-[(3-chloranyl-4-methyl-phenyl)methyl]-5-nitro-2-(1-oxidanylpropan-2-ylamino)benzamide

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-5-nitro-2-(1-oxidanylpropan-2-ylamino)benzamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-2-[(2-hydroxy-1-methyl-ethyl)amino]-5-nitro-benzamide CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylamino)-5-nitrobenzamide Traditional Name: N-(3-chloro-4-methyl-benzyl)-2-[(2-hydroxy-1-methyl-ethyl)amino]-5-nitro-benzamide Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(C)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(C)CO)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-11-3-4-13(7-16(11)19)9-20-18(24)15-8-14(22(25)26)5-6-17(15)21-12(2)10-23/h3-8,12,21,23H,9-10H2,1-2H3,(H,20,24)