2-[[3-[(2-methylphenyl)carbonylamino]propanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[3-[(2-methylphenyl)carbonylamino]propanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[3-[(2-methylbenzoyl)amino]propanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[3-[(2-methylbenzoyl)amino]propanoylamino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[3-(o-toluoylamino)propanoylamino]methyl]phenolate Formula: C18H18N3O5- MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19N3O5/c1-12-4-2-3-5-15(12)18(24)19-9-8-17(23)20-11-13-10-14(21(25)26)6-7-16(13)22/h2-7,10,22H,8-9,11H2,1H3,(H,19,24)(H,20,23)/p-1