5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxamide

Systemtic Name: 5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-2-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methyl-1H-indole-2-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methyl-1H-indole-2-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methyl-1H-indole-2-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-5-methyl-1H-indole-2-carboxamide Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N3O4/c1-10-2-4-14-11(6-10)8-15(19-14)17(22)18-9-12-7-13(20(23)24)3-5-16(12)21/h2-8,19,21H,9H2,1H3,(H,18,22)