3-(4-oxidanylidenequinazolin-3-yl)propyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)propyl 2-chloranyl-4-nitro-benzoate Openeye Name: 3-(4-oxoquinazolin-3-yl)propyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 3-(4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(4-oxoquinazolin-3-yl)propyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 3-(4-ketoquinazolin-3-yl)propyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5/c19-15-10-12(22(25)26)6-7-13(15)18(24)27-9-3-8-21-11-20-16-5-2-1-4-14(16)17(21)23/h1-2,4-7,10-11H,3,8-9H2