[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C16H20N3O4+ MolecularWeight: 318.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CO2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CO2)C

InChI

InChI=1S/C16H19N3O4/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20)/p+1