cyclopropyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-p-anisyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H25N3O5/c1-14(21(25)22-19-11-8-17(24(26)27)12-20(19)29-3)23(16-6-7-16)13-15-4-9-18(28-2)10-5-15/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,22,25)/p+1/t14-/m1/s1