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

Systemtic Name: ethyl 2-[3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl-methyl-amino]acetate CAS Name: 2-[3-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]propyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropyl-methylamino]acetate Traditional Name: 2-[3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropyl-methyl-amino]acetic acid ethyl ester Formula: C22H24BrN5O5 MolecularWeight: 518.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C)CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H24BrN5O5/c1-3-32-21(29)13-27(2)8-5-9-33-20-12-18-17(11-19(20)28(30)31)22(25-14-24-18)26-16-7-4-6-15(23)10-16/h4,6-7,10-12,14H,3,5,8-9,13H2,1-2H3,(H,24,25,26)