2-methoxy-6-nitro-4-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2S)-3-benzyl-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C22H18N3O5- MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-30-19-12-15(11-18(20(19)26)25(28)29)21-23-17-10-6-5-9-16(17)22(27)24(21)13-14-7-3-2-4-8-14/h2-12,21,23,26H,13H2,1H3/p-1/t21-/m0/s1