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

Systemtic Name: 2-[[(4-methylphenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-methylbenzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-methylphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-methylbenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(p-toluoylamino)methyl]phenolate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-10-2-4-11(5-3-10)15(19)16-9-12-8-13(17(20)21)6-7-14(12)18/h2-8,18H,9H2,1H3,(H,16,19)/p-1