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

Systemtic Name: ethyl 4-[[3-(3-methoxyphenyl)-6-nitro-4-oxidanylidene-quinazolin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(3-methoxyphenyl)-6-nitro-4-oxo-quinazolin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3-methoxyphenyl)-6-nitro-4-oxo-2-quinazolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methoxyphenyl)-6-nitro-4-oxoquinazolin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-keto-3-(3-methoxyphenyl)-6-nitro-quinazolin-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O6 MolecularWeight: 467.4745

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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=C4)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25N5O6/c1-3-34-23(30)26-11-9-25(10-12-26)15-21-24-20-8-7-17(28(31)32)14-19(20)22(29)27(21)16-5-4-6-18(13-16)33-2/h4-8,13-14H,3,9-12,15H2,1-2H3