ethyl 4-[2-(2-chlorophenyl)-6-nitro-quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-chlorophenyl)-6-nitro-quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-chlorophenyl)-6-nitro-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-chlorophenyl)-6-nitro-4-quinazolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chlorophenyl)-6-nitroquinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-chlorophenyl)-6-nitro-quinazolin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5O4/c1-2-31-21(28)26-11-9-25(10-12-26)20-16-13-14(27(29)30)7-8-18(16)23-19(24-20)15-5-3-4-6-17(15)22/h3-8,13H,2,9-12H2,1H3