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

Systemtic Name: 3-[2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C19H14ClN3O5 MolecularWeight: 399.78456

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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-])CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O5/c20-14-7-5-12(11-16(14)23(27)28)6-8-17-21-15-4-2-1-3-13(15)19(26)22(17)10-9-18(24)25/h1-8,11H,9-10H2,(H,24,25)/b8-6+