N-[1-[(4-nitrophenyl)methyl]-1-pyridin-4-yl-indol-1-ium-3-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[1-[(4-nitrophenyl)methyl]-1-pyridin-4-yl-indol-1-ium-3-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[1-[(4-nitrophenyl)methyl]-1-(4-pyridyl)indol-1-ium-3-yl]-2-oxo-acetamide CAS Name: N-[1-[(4-nitrophenyl)methyl]-1-pyridin-4-yl-3-indol-1-iumyl]-2-oxoacetamide IUPAC Name: N-[1-[(4-nitrophenyl)methyl]-1-pyridin-4-ylindol-1-ium-3-yl]-2-oxoacetamide Traditional Name: 2-keto-N-[1-(4-nitrobenzyl)-1-(4-pyridyl)indol-1-ium-3-yl]acetamide Formula: C22H17N4O4+ MolecularWeight: 401.39478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C[N+]2(CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4)NC(=O)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C[N+]2(CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4)NC(=O)C=O

InChI

InChI=1S/C22H16N4O4/c27-15-22(28)24-20-14-26(18-9-11-23-12-10-18,21-4-2-1-3-19(20)21)13-16-5-7-17(8-6-16)25(29)30/h1-12,14-15H,13H2/p+1