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

Systemtic Name: 2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-(2-methyl-4-oxo-quinazolin-3-yl)ethyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2-(2-methyl-4-oxo-3-quinazolinyl)ethyl ester IUPAC Name: 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-(4-keto-2-methyl-quinazolin-3-yl)ethyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCOC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O5/c1-11-20-15-5-3-2-4-13(15)17(23)21(11)8-9-27-18(24)12-6-7-14(19)16(10-12)22(25)26/h2-7,10H,8-9H2,1H3