[(1R)-2-[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1R)-2-[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-diethyl-azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-5-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium CAS Name: [(1R)-2-[[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1R)-2-[(3-ethoxycarbonyl-5-nitrobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1R)-2-[(3-carbethoxy-5-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-diethyl-ammonium Formula: C23H30N3O6+ MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)C2=CC(=CC=C2)OC

Isomeric SMILES

CC[NH+](CC)[C@@H](CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)C2=CC(=CC=C2)OC

InChI

InChI=1S/C23H29N3O6/c1-5-25(6-2)21(16-9-8-10-20(14-16)31-4)15-24-22(27)17-11-18(23(28)32-7-3)13-19(12-17)26(29)30/h8-14,21H,5-7,15H2,1-4H3,(H,24,27)/p+1/t21-/m0/s1