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

Systemtic Name: ethyl 4-[2-[(4-aminocarbonylpiperidin-1-yl)methyl]-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(4-carbamoyl-1-piperidyl)methyl]-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(4-carbamoyl-1-piperidinyl)methyl]-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-carbamoylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(4-carbamoylpiperidino)methyl]-4-keto-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O6/c1-2-35-24(32)16-3-5-17(6-4-16)28-21(14-27-11-9-15(10-12-27)22(25)30)26-20-8-7-18(29(33)34)13-19(20)23(28)31/h3-8,13,15H,2,9-12,14H2,1H3,(H2,25,30)