(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

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