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

Systemtic Name: 3-bromanyl-1-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]indole-2-carboxamide Openeye Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-methyl-indole-2-carboxamide CAS Name: 3-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-methyl-2-indolecarboxamide IUPAC Name: 3-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-methylindole-2-carboxamide Traditional Name: 3-bromo-N-(2-hydroxy-5-nitro-benzyl)-1-methyl-indole-2-carboxamide Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Br

InChI

InChI=1S/C17H14BrN3O4/c1-20-13-5-3-2-4-12(13)15(18)16(20)17(23)19-9-10-8-11(21(24)25)6-7-14(10)22/h2-8,22H,9H2,1H3,(H,19,23)