methyl 2-[2-(chloromethyl)-4-oxidanylidene-quinazolin-3-yl]-4-nitro-benzoate

Systemtic Name: methyl 2-[2-(chloromethyl)-4-oxidanylidene-quinazolin-3-yl]-4-nitro-benzoate Openeye Name: methyl 2-[2-(chloromethyl)-4-oxo-quinazolin-3-yl]-4-nitro-benzoate CAS Name: 2-[2-(chloromethyl)-4-oxo-3-quinazolinyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(chloromethyl)-4-oxoquinazolin-3-yl]-4-nitrobenzoate Traditional Name: 2-[2-(chloromethyl)-4-keto-quinazolin-3-yl]-4-nitro-benzoic acid methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C(=NC3=CC=CC=C3C2=O)CCl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C(=NC3=CC=CC=C3C2=O)CCl

InChI

InChI=1S/C17H12ClN3O5/c1-26-17(23)12-7-6-10(21(24)25)8-14(12)20-15(9-18)19-13-5-3-2-4-11(13)16(20)22/h2-8H,9H2,1H3