ethyl 1-[[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxidanylidene-quinazolin-2-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxidanylidene-quinazolin-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-quinazolin-2-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxo-2-quinazolinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2,4-dimethoxyphenyl)-6-nitro-4-oxoquinazolin-2-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[3-(2,4-dimethoxyphenyl)-4-keto-6-nitro-quinazolin-2-yl]methyl]nipecotic acid ethyl ester Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N4O7/c1-4-36-25(31)16-6-5-11-27(14-16)15-23-26-20-9-7-17(29(32)33)12-19(20)24(30)28(23)21-10-8-18(34-2)13-22(21)35-3/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3