(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-nitrobenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C16H10ClN3O5 MolecularWeight: 359.7207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O5/c17-10-3-6-12-13(7-10)18-14(19-15(12)21)8-25-16(22)9-1-4-11(5-2-9)20(23)24/h1-7H,8H2,(H,18,19,21)