furan-2-ylmethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: furan-2-ylmethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-furylmethyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-furanylmethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: furan-2-ylmethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-furfuryl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C16H20N3O5+ MolecularWeight: 334.3471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC=CO2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C16H19N3O5/c1-11(18(2)10-13-5-4-8-24-13)16(20)17-14-9-12(19(21)22)6-7-15(14)23-3/h4-9,11H,10H2,1-3H3,(H,17,20)/p+1/t11-/m1/s1