methyl 2-[4-[[[3-(2-nitroethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-nitroethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-nitroacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-[(2-nitro-1-oxoethyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-nitroacetyl)amino]pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[3-[(2-nitroacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5/c1-31-22(28)18-6-3-2-5-17(18)16-10-8-15(9-11-16)13-24-21-19(7-4-12-23-21)25-20(27)14-26(29)30/h2-12H,13-14H2,1H3,(H,23,24)(H,25,27)