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

Systemtic Name: 4-[(2S)-3-(4-ethoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-p-phenetyl-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C22H18N3O5- MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c1-2-30-16-10-8-15(9-11-16)24-21(14-7-12-20(26)19(13-14)25(28)29)23-18-6-4-3-5-17(18)22(24)27/h3-13,21,23,26H,2H2,1H3/p-1/t21-/m0/s1