2-[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1R)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl]thio]quinazolin-4-olate Formula: C17H12ClN4O4S- MolecularWeight: 403.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C17H13ClN4O4S/c1-9(15(23)19-14-8-10(22(25)26)6-7-12(14)18)27-17-20-13-5-3-2-4-11(13)16(24)21-17/h2-9H,1H3,(H,19,23)(H,20,21,24)/p-1/t9-/m1/s1