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

Systemtic Name: 2-nitro-4-[(2S)-4-oxidanylidene-3-phenyl-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 2-nitro-4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-nitro-4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 2-nitro-4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenolate Traditional Name: 4-[(2S)-4-keto-3-phenyl-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C20H14N3O4- MolecularWeight: 360.34286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4/c24-18-11-10-13(12-17(18)23(26)27)19-21-16-9-5-4-8-15(16)20(25)22(19)14-6-2-1-3-7-14/h1-12,19,21,24H/p-1/t19-/m0/s1