N-[3-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)methylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[3-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)methylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[3-[(5-chloro-2-hydroxy-3-nitro-phenyl)methylamino]phenyl]-2-methyl-benzamide CAS Name: N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylamino]phenyl]-2-methylbenzamide IUPAC Name: N-[3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylamino]phenyl]-2-methylbenzamide Traditional Name: N-[3-[(5-chloro-2-hydroxy-3-nitro-benzyl)amino]phenyl]-2-methyl-benzamide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NCC3=CC(=CC(=C3O)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NCC3=CC(=CC(=C3O)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O4/c1-13-5-2-3-8-18(13)21(27)24-17-7-4-6-16(11-17)23-12-14-9-15(22)10-19(20(14)26)25(28)29/h2-11,23,26H,12H2,1H3,(H,24,27)