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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H11ClN4O5 MolecularWeight: 398.75674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC#N

InChI

InChI=1S/C18H11ClN4O5/c19-14-9-11(23(26)27)5-6-12(14)18(25)28-10-16-21-15-4-2-1-3-13(15)17(24)22(16)8-7-20/h1-6,9H,8,10H2