[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H14N4O6/c1-10(16(23)19-13-8-4-5-9-14(13)22(26)27)28-18(25)15-11-6-2-3-7-12(11)17(24)21-20-15/h2-10H,1H3,(H,19,23)(H,21,24)/t10-/m1/s1