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

Systemtic Name: 4-nitro-2-[[2-(4-phenylazanylphenoxy)ethanoylamino]methyl]phenolate Openeye Name: 2-[[[2-(4-anilinophenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-anilinophenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-anilinophenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-anilinophenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C21H18N3O5- MolecularWeight: 392.38472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H19N3O5/c25-20-11-8-18(24(27)28)12-15(20)13-22-21(26)14-29-19-9-6-17(7-10-19)23-16-4-2-1-3-5-16/h1-12,23,25H,13-14H2,(H,22,26)/p-1