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

Systemtic Name: 3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropyl methanesulfonate Openeye Name: 3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl methanesulfonate CAS Name: methanesulfonic acid 3-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]propyl ester IUPAC Name: 3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl ester Formula: C18H17BrN4O6S MolecularWeight: 497.31978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O6S/c1-30(26,27)29-7-3-6-28-17-10-15-14(9-16(17)23(24)25)18(21-11-20-15)22-13-5-2-4-12(19)8-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,20,21,22)