4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]butanamide

Systemtic Name: 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]butanamide Openeye Name: 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-[2-(4-nitroanilino)ethyl]butanamide CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[2-(4-nitroanilino)ethyl]butanamide IUPAC Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-nitroanilino)ethyl]butanamide Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-[2-(4-nitroanilino)ethyl]butyramide Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N5O6/c1-32-19-12-17-18(13-20(19)33-2)25-14-26(22(17)29)11-3-4-21(28)24-10-9-23-15-5-7-16(8-6-15)27(30)31/h5-8,12-14,23H,3-4,9-11H2,1-2H3,(H,24,28)