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

Systemtic Name: ethyl 4-[6-nitro-4-oxidanylidene-2-[(4-oxidanylpiperidin-1-yl)methyl]quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(4-hydroxy-1-piperidyl)methyl]-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(4-hydroxy-1-piperidinyl)methyl]-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-hydroxypiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(4-hydroxypiperidino)methyl]-4-keto-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C23H24N4O6 MolecularWeight: 452.45986

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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-])CN4CCC(CC4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCC(CC4)O

InChI

InChI=1S/C23H24N4O6/c1-2-33-23(30)15-3-5-16(6-4-15)26-21(14-25-11-9-18(28)10-12-25)24-20-8-7-17(27(31)32)13-19(20)22(26)29/h3-8,13,18,28H,2,9-12,14H2,1H3