2-[[2-[(2-chlorophenyl)methyl-methyl-azaniumyl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(2-chlorophenyl)methyl-methyl-azaniumyl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(2-chlorophenyl)methyl-methyl-ammonio]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(2-chlorophenyl)methyl-methylammonio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(2-chlorophenyl)methyl-methylazaniumyl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(2-chlorobenzyl)-methyl-ammonio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Cl)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Cl)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18ClN3O4/c1-20(10-12-4-2-3-5-15(12)18)11-17(23)19-9-13-8-14(21(24)25)6-7-16(13)22/h2-8,22H,9-11H2,1H3,(H,19,23)