3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 2-chloranyl-5-nitro-benzoate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O5/c1-12-21-17-6-3-2-5-14(17)18(24)22(12)9-4-10-28-19(25)15-11-13(23(26)27)7-8-16(15)20/h2-3,5-8,11H,4,9-10H2,1H3