2-[[2-(4-methylphenyl)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-methylphenyl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[[2-(p-tolyl)acetyl]amino]methyl]phenolate CAS Name: 2-[[[2-(4-methylphenyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-methylphenyl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[[2-(p-tolyl)acetyl]amino]methyl]phenolate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)8-16(20)17-10-13-9-14(18(21)22)6-7-15(13)19/h2-7,9,19H,8,10H2,1H3,(H,17,20)/p-1