4-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxybutyl methanesulfonate

Systemtic Name: 4-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxybutyl methanesulfonate Openeye Name: 4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutyl methanesulfonate CAS Name: methanesulfonic acid 4-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]butyl ester IUPAC Name: 4-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxybutyl methanesulfonate Traditional Name: methanesulfonic acid 4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutyl ester Formula: C19H19BrN4O6S MolecularWeight: 511.34636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O6S/c1-31(27,28)30-8-3-2-7-29-18-11-16-15(10-17(18)24(25)26)19(22-12-21-16)23-14-6-4-5-13(20)9-14/h4-6,9-12H,2-3,7-8H2,1H3,(H,21,22,23)