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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-3-11-24-20(27)17-10-5-4-9-16(17)18(23-24)21(28)31-13(2)19(26)22-14-7-6-8-15(12-14)25(29)30/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)