ethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-(2-thenyl)ammonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N3O4S/c1-4-19(10-13-6-5-7-25-13)11-17(21)18-14-9-16(24-3)15(20(22)23)8-12(14)2/h5-9H,4,10-11H2,1-3H3,(H,18,21)/p+1