2,6-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-3-carboxamide

Systemtic Name: 2,6-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2,6-dimethyl-quinoline-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2,6-dimethyl-3-quinolinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2,6-dimethylquinoline-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2,6-dimethyl-quinoline-3-carboxamide Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O4/c1-11-3-5-17-13(7-11)9-16(12(2)21-17)19(24)20-10-14-8-15(22(25)26)4-6-18(14)23/h3-9,23H,10H2,1-2H3,(H,20,24)