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

Systemtic Name: 4-chloranyl-2-[(2S)-3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(2S)-3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(2S)-3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(2S)-3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Formula: C19H13ClN3O5- MolecularWeight: 398.77662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O5/c20-11-8-14(17(24)16(9-11)23(26)27)18-21-15-6-2-1-5-13(15)19(25)22(18)10-12-4-3-7-28-12/h1-9,18,21,24H,10H2/p-1/t18-/m0/s1