cyclohexyl-[[2-[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-[(3-ethoxycarbonyl-5-nitro-phenyl)carbonylamino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[(3-ethoxycarbonyl-5-nitro-benzoyl)amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[(3-ethoxycarbonyl-5-nitrobenzoyl)amino]phenyl]methyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-5-nitro-benzoyl)amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C24H30N3O5+ MolecularWeight: 440.5121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C[NH+](C)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C[NH+](C)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O5/c1-3-32-24(29)19-13-18(14-21(15-19)27(30)31)23(28)25-22-12-8-7-9-17(22)16-26(2)20-10-5-4-6-11-20/h7-9,12-15,20H,3-6,10-11,16H2,1-2H3,(H,25,28)/p+1