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

Systemtic Name: 2-methoxy-4-[(2S)-3-(4-methylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-(p-tolyl)-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-methoxy-4-[(2S)-3-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(2S)-3-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-(p-tolyl)-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:

CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

InChI

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