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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-chloranyl-2-nitro-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-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)Cl)[N+](=O)[O-])CC#N

Isomeric SMILES

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

InChI

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