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

Systemtic Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C19H14N3O5- MolecularWeight: 364.33156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N([C@H](N2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C19H15N3O5/c23-17-8-7-12(10-16(17)22(25)26)18-20-15-6-2-1-5-14(15)19(24)21(18)11-13-4-3-9-27-13/h1-10,18,20,23H,11H2/p-1/t18-/m0/s1