4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate

Systemtic Name: 4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C23H20N3O5- MolecularWeight: 418.422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-31-17-9-6-15(7-10-17)12-13-25-22(16-8-11-21(27)20(14-16)26(29)30)24-19-5-3-2-4-18(19)23(25)28/h2-11,14,22,24,27H,12-13H2,1H3/p-1/t22-/m0/s1