2-[[(2,5-dimethylphenyl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2,5-dimethylphenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2,5-dimethylbenzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2,5-dimethylphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2,5-dimethylbenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2,5-dimethylbenzoyl)amino]methyl]-4-nitro-phenolate Formula: C16H15N2O4- MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-10-3-4-11(2)14(7-10)16(20)17-9-12-8-13(18(21)22)5-6-15(12)19/h3-8,19H,9H2,1-2H3,(H,17,20)/p-1