ethyl 4-[2-(morpholin-4-ylmethyl)-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[2-(morpholin-4-ylmethyl)-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-(morpholinomethyl)-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-(4-morpholinylmethyl)-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(morpholin-4-ylmethyl)-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-2-(morpholinomethyl)-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCOCC4

InChI

InChI=1S/C22H22N4O6/c1-2-32-22(28)15-3-5-16(6-4-15)25-20(14-24-9-11-31-12-10-24)23-19-8-7-17(26(29)30)13-18(19)21(25)27/h3-8,13H,2,9-12,14H2,1H3