ethyl 4-[6-nitro-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-nitro-4-oxidanylidene-2-(piperidin-1-ylmethyl)quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-nitro-4-oxo-2-(1-piperidylmethyl)quinazolin-3-yl]benzoate CAS Name: 4-[6-nitro-4-oxo-2-(1-piperidinylmethyl)-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-nitro-4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-6-nitro-2-(piperidinomethyl)quinazolin-3-yl]benzoic acid ethyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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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-])CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCCCC4

InChI

InChI=1S/C23H24N4O5/c1-2-32-23(29)16-6-8-17(9-7-16)26-21(15-25-12-4-3-5-13-25)24-20-11-10-18(27(30)31)14-19(20)22(26)28/h6-11,14H,2-5,12-13,15H2,1H3