2-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylquinoline-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-methyl-cinchoninamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15N3O4/c1-11-8-15(14-4-2-3-5-16(14)20-11)18(23)19-10-12-9-13(21(24)25)6-7-17(12)22/h2-9,22H,10H2,1H3,(H,19,23)