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

Systemtic Name: ethyl 4-[2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(4-ethyl-1-piperazinyl)methyl]-6-nitro-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(4-ethylpiperazino)methyl]-4-keto-6-nitro-quinazolin-3-yl]benzoic acid ethyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C24H27N5O5/c1-3-26-11-13-27(14-12-26)16-22-25-21-10-9-19(29(32)33)15-20(21)23(30)28(22)18-7-5-17(6-8-18)24(31)34-4-2/h5-10,15H,3-4,11-14,16H2,1-2H3