methyl 2-[5-[[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methylamino]-5-oxidanylidene-pentyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[5-[[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]methylamino]-5-oxidanylidene-pentyl]-3-nitro-benzoate Openeye Name: methyl 2-[5-[[2-(2-cyanophenyl)-3-methyl-4-oxo-quinazolin-6-yl]methylamino]-5-oxo-pentyl]-3-nitro-benzoate CAS Name: 2-[5-[[2-(2-cyanophenyl)-3-methyl-4-oxo-6-quinazolinyl]methylamino]-5-oxopentyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[5-[[2-(2-cyanophenyl)-3-methyl-4-oxoquinazolin-6-yl]methylamino]-5-oxopentyl]-3-nitrobenzoate Traditional Name: 2-[5-[[2-(2-cyanophenyl)-4-keto-3-methyl-quinazolin-6-yl]methylamino]-5-keto-pentyl]-3-nitro-benzoic acid methyl ester Formula: C30H27N5O6 MolecularWeight: 553.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=C(C=C2)CNC(=O)CCCCC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=C(C=C2)CNC(=O)CCCCC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4C#N

InChI

InChI=1S/C30H27N5O6/c1-34-28(21-9-4-3-8-20(21)17-31)33-25-15-14-19(16-24(25)29(34)37)18-32-27(36)13-6-5-10-22-23(30(38)41-2)11-7-12-26(22)35(39)40/h3-4,7-9,11-12,14-16H,5-6,10,13,18H2,1-2H3,(H,32,36)