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

Systemtic Name: tert-butyl 4-[[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H28BrN5O5 MolecularWeight: 558.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H28BrN5O5/c1-25(2,3)36-24(32)30-9-7-16(8-10-30)14-35-22-13-20-19(12-21(22)31(33)34)23(28-15-27-20)29-18-6-4-5-17(26)11-18/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,27,28,29)