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

Systemtic Name: ethyl 2-[4-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxybutyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutyl-methyl-amino]acetate CAS Name: 2-[4-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]butyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxybutyl-methylamino]acetate Traditional Name: 2-[4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutyl-methyl-amino]acetic acid ethyl ester Formula: C23H26BrN5O5 MolecularWeight: 532.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H26BrN5O5/c1-3-33-22(30)14-28(2)9-4-5-10-34-21-13-19-18(12-20(21)29(31)32)23(26-15-25-19)27-17-8-6-7-16(24)11-17/h6-8,11-13,15H,3-5,9-10,14H2,1-2H3,(H,25,26,27)