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

Systemtic Name: diethyl-[(1S)-2-[(2-methoxy-5-nitro-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(2-methoxy-5-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(2-methoxy-5-nitrobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]azanium Traditional Name: diethyl-[(1S)-2-[(2-methoxy-5-nitro-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-5-23(6-2)19(15-8-7-9-17(12-15)28-3)14-22-21(25)18-13-16(24(26)27)10-11-20(18)29-4/h7-13,19H,5-6,14H2,1-4H3,(H,22,25)/p+1/t19-/m1/s1