methyl (E)-4-(5-azido-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(5-azido-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)but-2-enoate Openeye Name: methyl (E)-4-(5-azido-6,7-dimethoxy-4-oxo-quinazolin-3-yl)but-2-enoate CAS Name: (E)-4-(5-azido-6,7-dimethoxy-4-oxo-3-quinazolinyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(5-azido-6,7-dimethoxy-4-oxoquinazolin-3-yl)but-2-enoate Traditional Name: (E)-4-(5-azido-4-keto-6,7-dimethoxy-quinazolin-3-yl)but-2-enoic acid methyl ester Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=CN(C2=O)CC=CC(=O)OC)N=[N+]=[N-])OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=CN(C2=O)C/C=C/C(=O)OC)N=[N+]=[N-])OC

InChI

InChI=1S/C15H15N5O5/c1-23-10-7-9-12(13(18-19-16)14(10)25-3)15(22)20(8-17-9)6-4-5-11(21)24-2/h4-5,7-8H,6H2,1-3H3/b5-4+