4-[2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: 4-[2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: 4-[2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoate IUPAC Name: 4-[2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoate Formula: C23H13ClN3O5- MolecularWeight: 446.81942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H14ClN3O5/c24-18-11-5-14(13-20(18)27(31)32)6-12-21-25-19-4-2-1-3-17(19)22(28)26(21)16-9-7-15(8-10-16)23(29)30/h1-13H,(H,29,30)/p-1/b12-6+