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

Systemtic Name: 4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 2-nitro-4-[(2S)-4-oxo-3-(p-tolylmethyl)-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-(4-methylbenzyl)-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C22H18N3O4- MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4/c1-14-6-8-15(9-7-14)13-24-21(16-10-11-20(26)19(12-16)25(28)29)23-18-5-3-2-4-17(18)22(24)27/h2-12,21,23,26H,13H2,1H3/p-1/t21-/m0/s1