2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethanol

Systemtic Name: 2-[4-[(3-bromophenyl)amino]-6-nitro-quinazolin-7-yl]oxyethanol Openeye Name: 2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethanol CAS Name: 2-[[4-(3-bromoanilino)-6-nitro-7-quinazolinyl]oxy]ethanol IUPAC Name: 2-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxyethanol Traditional Name: 2-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxyethanol Formula: C16H13BrN4O4 MolecularWeight: 405.20282

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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-])OCCO

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4O4/c17-10-2-1-3-11(6-10)20-16-12-7-14(21(23)24)15(25-5-4-22)8-13(12)18-9-19-16/h1-3,6-9,22H,4-5H2,(H,18,19,20)