4-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxybutan-1-ol

Systemtic Name: 4-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxybutan-1-ol Openeye Name: 4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutan-1-ol CAS Name: 4-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]-1-butanol IUPAC Name: 4-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxybutan-1-ol Traditional Name: 4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutan-1-ol Formula: C18H17BrN4O4 MolecularWeight: 433.25598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCO

InChI

InChI=1S/C18H17BrN4O4/c19-12-4-3-5-13(8-12)22-18-14-9-16(23(25)26)17(27-7-2-1-6-24)10-15(14)20-11-21-18/h3-5,8-11,24H,1-2,6-7H2,(H,20,21,22)