3-butyl-10-(3-chlorophenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione

Systemtic Name: 3-butyl-10-(3-chlorophenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione Openeye Name: 3-butyl-10-(3-chlorophenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-dione CAS Name: 3-butyl-10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione IUPAC Name: 3-butyl-10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione Traditional Name: 3-butyl-10-(3-chlorophenyl)-7-nitro-pyrimido[4,5-b]quinoline-2,4-quinone Formula: C21H17ClN4O4 MolecularWeight: 424.83708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=NC1=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2=NC1=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O4/c1-2-3-9-24-20(27)17-11-13-10-16(26(29)30)7-8-18(13)25(19(17)23-21(24)28)15-6-4-5-14(22)12-15/h4-8,10-12H,2-3,9H2,1H3