N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C27H20BrN5O4 MolecularWeight: 558.3828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NC(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NC(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C27H20BrN5O4/c28-16-7-10-22-19(12-16)21(14-30-22)24-13-20(18-3-1-2-4-23(18)31-24)27(35)32-25(26(29)34)11-15-5-8-17(9-6-15)33(36)37/h1-10,12-14,25,30H,11H2,(H2,29,34)(H,32,35)