N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[(8aS)-2-phenyl-3,8a-dihydroquinazolin-1-ium-4-yl]phenyl]-4-nitro-benzamide Formula: C27H21N4O3+ MolecularWeight: 449.48064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C3C=CC=CC3=C(N2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+][C@H]3C=CC=CC3=C(N2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O3/c32-27(20-12-16-22(17-13-20)31(33)34)28-21-14-10-18(11-15-21)25-23-8-4-5-9-24(23)29-26(30-25)19-6-2-1-3-7-19/h1-17,24H,(H,28,32)(H,29,30)/p+1/t24-/m0/s1