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

Systemtic Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(2S)-3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(2S)-3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2S)-3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C20H16N3O6- MolecularWeight: 394.35754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C20H17N3O6/c1-28-17-10-12(9-16(18(17)24)23(26)27)19-21-15-7-3-2-6-14(15)20(25)22(19)11-13-5-4-8-29-13/h2-10,19,21,24H,11H2,1H3/p-1/t19-/m0/s1