ethyl 4-[[3-(2-fluorophenyl)-6-nitro-4-oxidanylidene-quinazolin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(2-fluorophenyl)-6-nitro-4-oxidanylidene-quinazolin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(2-fluorophenyl)-6-nitro-4-oxo-quinazolin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-fluorophenyl)-6-nitro-4-oxo-2-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-fluorophenyl)-6-nitro-4-oxoquinazolin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-fluorophenyl)-4-keto-6-nitro-quinazolin-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22FN5O5 MolecularWeight: 455.438983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN5O5/c1-2-33-22(30)26-11-9-25(10-12-26)14-20-24-18-8-7-15(28(31)32)13-16(18)21(29)27(20)19-6-4-3-5-17(19)23/h3-8,13H,2,9-12,14H2,1H3