3-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-6,7-dimethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[(E)-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-6,7-dimethoxy-1H-quinazoline-2,4-quinone Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C(=O)C3=CC(=C(C=C3NC2=O)OC)OC)Cl)OCC#C

InChI

InChI=1S/C21H18ClN3O6/c1-5-6-31-19-14(22)7-12(8-18(19)30-4)11-23-25-20(26)13-9-16(28-2)17(29-3)10-15(13)24-21(25)27/h1,7-11H,6H2,2-4H3,(H,24,27)/b23-11+