3-[2-[4-[(5-nitropyridin-2-yl)amino]phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(5-nitropyridin-2-yl)amino]phenoxy]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(5-nitro-2-pyridyl)amino]phenoxy]acetyl]amino]benzoic acid CAS Name: 3-[[2-[4-[(5-nitro-2-pyridinyl)amino]phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(5-nitropyridin-2-yl)amino]phenoxy]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[4-[(5-nitro-2-pyridyl)amino]phenoxy]acetyl]amino]benzoic acid Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H16N4O6/c25-19(23-15-3-1-2-13(10-15)20(26)27)12-30-17-7-4-14(5-8-17)22-18-9-6-16(11-21-18)24(28)29/h1-11H,12H2,(H,21,22)(H,23,25)(H,26,27)