ethyl 2-[2-cyano-3-(ethylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[2-cyano-3-(ethylamino)-4-nitro-phenyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[2-cyano-3-(ethylamino)-4-nitro-phenyl]-2-methyl-3-oxo-butanoate CAS Name: 2-[2-cyano-3-(ethylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[2-cyano-3-(ethylamino)-4-nitrophenyl]-2-methyl-3-oxobutanoate Traditional Name: 2-[2-cyano-3-(ethylamino)-4-nitro-phenyl]-3-keto-2-methyl-butyric acid ethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1C#N)C(C)(C(=O)C)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1C#N)C(C)(C(=O)C)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-5-18-14-11(9-17)12(7-8-13(14)19(22)23)16(4,10(3)20)15(21)24-6-2/h7-8,18H,5-6H2,1-4H3