2-[(2R)-6-bromanyl-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)carbonylamino]-1,2-dihydroquinazolin-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[(2R)-6-bromanyl-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)carbonylamino]-1,2-dihydroquinazolin-2-yl]-4-nitro-phenolate Openeye Name: 2-[(2R)-3-[(4-benzyloxybenzoyl)amino]-6-bromo-4-oxo-1,2-dihydroquinazolin-2-yl]-4-nitro-phenolate CAS Name: 2-[(2R)-6-bromo-4-oxo-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1,2-dihydroquinazolin-2-yl]-4-nitrophenolate IUPAC Name: 2-[(2R)-6-bromo-4-oxo-3-[(4-phenylmethoxybenzoyl)amino]-1,2-dihydroquinazolin-2-yl]-4-nitrophenolate Traditional Name: 2-[(2R)-3-[(4-benzoxybenzoyl)amino]-6-bromo-4-keto-1,2-dihydroquinazolin-2-yl]-4-nitro-phenolate Formula: C28H20BrN4O6- MolecularWeight: 588.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN3C(NC4=C(C3=O)C=C(C=C4)Br)C5=C(C=CC(=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN3[C@@H](NC4=C(C3=O)C=C(C=C4)Br)C5=C(C=CC(=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C28H21BrN4O6/c29-19-8-12-24-22(14-19)28(36)32(26(30-24)23-15-20(33(37)38)9-13-25(23)34)31-27(35)18-6-10-21(11-7-18)39-16-17-4-2-1-3-5-17/h1-15,26,30,34H,16H2,(H,31,35)/p-1/t26-/m1/s1