N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-nitro-benzamide Openeye Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-nitro-benzamide CAS Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]ethyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]ethyl]-4-nitro-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O4/c1-3-4-16-30(26(33)19-12-14-21(15-13-19)32(35)36)18(2)25-29-24-11-6-5-10-23(24)27(34)31(25)22-9-7-8-20(28)17-22/h5-15,17-18H,3-4,16H2,1-2H3