2-[[4-(3-methylphenoxy)butanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(3-methylphenoxy)butanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(3-methylphenoxy)butanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[4-(3-methylphenoxy)-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(3-methylphenoxy)butanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(3-methylphenoxy)butanoylamino]methyl]-4-nitro-phenolate Formula: C18H19N2O5- MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-13-4-2-5-16(10-13)25-9-3-6-18(22)19-12-14-11-15(20(23)24)7-8-17(14)21/h2,4-5,7-8,10-11,21H,3,6,9,12H2,1H3,(H,19,22)/p-1