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

Systemtic Name: 4-[(2S)-3-(2-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C21H16N3O5- MolecularWeight: 390.36884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c1-29-19-9-5-4-8-16(19)23-20(13-10-11-18(25)17(12-13)24(27)28)22-15-7-3-2-6-14(15)21(23)26/h2-12,20,22,25H,1H3/p-1/t20-/m0/s1