ethyl 4-[2-[(4-methylpiperidin-1-yl)methyl]-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[2-[(4-methylpiperidin-1-yl)methyl]-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(4-methyl-1-piperidyl)methyl]-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(4-methyl-1-piperidinyl)methyl]-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-methylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-2-[(4-methylpiperidino)methyl]-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCC(CC4)C

InChI

InChI=1S/C24H26N4O5/c1-3-33-24(30)17-4-6-18(7-5-17)27-22(15-26-12-10-16(2)11-13-26)25-21-9-8-19(28(31)32)14-20(21)23(27)29/h4-9,14,16H,3,10-13,15H2,1-2H3