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

Systemtic Name: ethyl 4-[2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[[4-(2-hydroxyethyl)piperazino]methyl]-4-keto-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C24H27N5O6 MolecularWeight: 481.50108

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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-])CN4CCN(CC4)CCO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)CCO

InChI

InChI=1S/C24H27N5O6/c1-2-35-24(32)17-3-5-18(6-4-17)28-22(16-27-11-9-26(10-12-27)13-14-30)25-21-8-7-19(29(33)34)15-20(21)23(28)31/h3-8,15,30H,2,9-14,16H2,1H3