(2-chloranyl-5-nitro-phenyl)methyl-[(3-methoxycarbonylphenyl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(3-methoxycarbonylphenyl)methyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(3-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(3-methoxycarbonylphenyl)methyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(3-methoxycarbonylphenyl)methyl]-methylazanium Traditional Name: (3-carbomethoxybenzyl)-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C17H18ClN2O4+ MolecularWeight: 349.78882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C(=O)OC)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C(=O)OC)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O4/c1-19(10-12-4-3-5-13(8-12)17(21)24-2)11-14-9-15(20(22)23)6-7-16(14)18/h3-9H,10-11H2,1-2H3/p+1