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

Systemtic Name: 2-methoxy-4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-(p-tolylmethyl)-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-methoxy-4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-(4-methylbenzyl)-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C23H20N3O5- MolecularWeight: 418.422

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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)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-14-7-9-15(10-8-14)13-25-22(24-18-6-4-3-5-17(18)23(25)28)16-11-19(26(29)30)21(27)20(12-16)31-2/h3-12,22,24,27H,13H2,1-2H3/p-1/t22-/m0/s1