(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

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