tert-butyl 4-[2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxyethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30BrN5O5 MolecularWeight: 572.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H30BrN5O5/c1-26(2,3)37-25(33)31-10-7-17(8-11-31)9-12-36-23-15-21-20(14-22(23)32(34)35)24(29-16-28-21)30-19-6-4-5-18(27)13-19/h4-6,13-17H,7-12H2,1-3H3,(H,28,29,30)