2-[(4-chloranyl-3-methoxy-phenyl)methylamino]-5-nitro-N-(1-oxidanylpropan-2-yl)benzamide

Systemtic Name: 2-[(4-chloranyl-3-methoxy-phenyl)methylamino]-5-nitro-N-(1-oxidanylpropan-2-yl)benzamide Openeye Name: 2-[(4-chloro-3-methoxy-phenyl)methylamino]-N-(2-hydroxy-1-methyl-ethyl)-5-nitro-benzamide CAS Name: 2-[(4-chloro-3-methoxyphenyl)methylamino]-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide IUPAC Name: 2-[(4-chloro-3-methoxyphenyl)methylamino]-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide Traditional Name: 2-[(4-chloro-3-methoxy-benzyl)amino]-N-(2-hydroxy-1-methyl-ethyl)-5-nitro-benzamide Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)Cl)OC

Isomeric SMILES

CC(CO)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)Cl)OC

InChI

InChI=1S/C18H20ClN3O5/c1-11(10-23)21-18(24)14-8-13(22(25)26)4-6-16(14)20-9-12-3-5-15(19)17(7-12)27-2/h3-8,11,20,23H,9-10H2,1-2H3,(H,21,24)