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

Systemtic Name: furan-2-ylmethyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-(2-thenyl)ammonium Formula: C19H20N3O5S+ MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C19H19N3O5S/c1-26-18-7-6-14(22(24)25)10-17(18)20-19(23)13-21(11-15-4-2-8-27-15)12-16-5-3-9-28-16/h2-10H,11-13H2,1H3,(H,20,23)/p+1