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

Systemtic Name: 4-[(2S)-3-(3-methylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-(m-tolyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-(3-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-(3-methylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-(m-tolyl)-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C21H16N3O4- MolecularWeight: 374.36944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-13-5-4-6-15(11-13)23-20(14-9-10-19(25)18(12-14)24(27)28)22-17-8-3-2-7-16(17)21(23)26/h2-12,20,22,25H,1H3/p-1/t20-/m0/s1