2-[[2-[(3-chlorophenyl)methyl-methyl-azaniumyl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(3-chlorophenyl)methyl-methyl-azaniumyl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(3-chlorophenyl)methyl-methyl-ammonio]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(3-chlorophenyl)methyl-methylammonio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(3-chlorophenyl)methyl-methylazaniumyl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(3-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=C1)Cl)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)Cl)CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

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