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

Systemtic Name: 3-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxypropan-1-ol Openeye Name: 3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropan-1-ol CAS Name: 3-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]-1-propanol IUPAC Name: 3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropan-1-ol Traditional Name: 3-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxypropan-1-ol Formula: C17H15BrN4O4 MolecularWeight: 419.2294

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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-])OCCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O4/c18-11-3-1-4-12(7-11)21-17-13-8-15(22(24)25)16(26-6-2-5-23)9-14(13)19-10-20-17/h1,3-4,7-10,23H,2,5-6H2,(H,19,20,21)