(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C16H9Cl2N3O5 MolecularWeight: 394.16576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H9Cl2N3O5/c17-8-1-3-10-13(5-8)19-14(20-15(10)22)7-26-16(23)11-6-9(21(24)25)2-4-12(11)18/h1-6H,7H2,(H,19,20,22)