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

Systemtic Name: 2-[[2-[(2,4-dimethylphenyl)methyl-methyl-azaniumyl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(2,4-dimethylphenyl)methyl-methyl-ammonio]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(2,4-dimethylphenyl)methyl-methylammonio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(2,4-dimethylphenyl)methyl-methylazaniumyl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(2,4-dimethylbenzyl)-methyl-ammonio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-13-4-5-15(14(2)8-13)11-21(3)12-19(24)20-10-16-9-17(22(25)26)6-7-18(16)23/h4-9,23H,10-12H2,1-3H3,(H,20,24)