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

Systemtic Name: ethyl 2-[2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl-methyl-amino]acetate CAS Name: 2-[2-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]ethyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxyethyl-methylamino]acetate Traditional Name: 2-[2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethyl-methyl-amino]acetic acid ethyl ester Formula: C21H22BrN5O5 MolecularWeight: 504.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H22BrN5O5/c1-3-31-20(28)12-26(2)7-8-32-19-11-17-16(10-18(19)27(29)30)21(24-13-23-17)25-15-6-4-5-14(22)9-15/h4-6,9-11,13H,3,7-8,12H2,1-2H3,(H,23,24,25)