9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 9-(2-chlorophenyl)-2-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)N=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5Cl)C(=O)C1

InChI

InChI=1S/C21H16ClN5O3/c22-15-5-2-1-4-14(15)19-18-16(6-3-7-17(18)28)23-21-24-20(25-26(19)21)12-8-10-13(11-9-12)27(29)30/h1-2,4-5,8-11,19H,3,6-7H2,(H,23,24,25)