ethyl 4-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(E)-2-(5-nitro-2-furyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6/c1-2-31-23(28)15-7-9-16(10-8-15)25-20(13-11-17-12-14-21(32-17)26(29)30)24-19-6-4-3-5-18(19)22(25)27/h3-14H,2H2,1H3/b13-11+