ethyl 3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylate CAS Name: 3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylate Traditional Name: 3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C24H20N4O6S MolecularWeight: 492.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H20N4O6S/c1-3-27-23(30)17-11-6-5-10-16(17)20(26-27)22(29)25-18-13-19(35-21(18)24(31)34-4-2)14-8-7-9-15(12-14)28(32)33/h5-13H,3-4H2,1-2H3,(H,25,29)