2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethyl methanesulfonate

Systemtic Name: 2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethyl methanesulfonate Openeye Name: 2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]ethyl ester IUPAC Name: 2-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxyethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl ester Formula: C17H15BrN4O6S MolecularWeight: 483.2932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN4O6S/c1-29(25,26)28-6-5-27-16-9-14-13(8-15(16)22(23)24)17(20-10-19-14)21-12-4-2-3-11(18)7-12/h2-4,7-10H,5-6H2,1H3,(H,19,20,21)