10-(3-chloranyl-4-methoxy-phenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione

Systemtic Name: 10-(3-chloranyl-4-methoxy-phenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Openeye Name: 10-(3-chloro-4-methoxy-phenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione CAS Name: 10-(3-chloro-4-methoxyphenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione IUPAC Name: 10-(3-chloro-4-methoxyphenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione Traditional Name: 10-(3-chloro-4-methoxy-phenyl)-7-nitro-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-quinone Formula: C18H12ClN4O5+ MolecularWeight: 399.76468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+]2=C3C=CC(=CC3=CC4=C2NC(=O)NC4=O)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+]2=C3C=CC(=CC3=CC4=C2NC(=O)NC4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H11ClN4O5/c1-28-15-5-3-10(8-13(15)19)22-14-4-2-11(23(26)27)6-9(14)7-12-16(22)20-18(25)21-17(12)24/h2-8H,1H3,(H,21,24,25)/p+1