[3-[(5-nitropyridin-2-yl)carbamoyl]phenyl] 2-[(2-cyanophenyl)methoxy]ethanoate

Systemtic Name: [3-[(5-nitropyridin-2-yl)carbamoyl]phenyl] 2-[(2-cyanophenyl)methoxy]ethanoate Openeye Name: [3-[(5-nitro-2-pyridyl)carbamoyl]phenyl] 2-[(2-cyanophenyl)methoxy]acetate CAS Name: 2-[(2-cyanophenyl)methoxy]acetic acid [3-[[(5-nitro-2-pyridinyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [3-[(5-nitropyridin-2-yl)carbamoyl]phenyl] 2-[(2-cyanophenyl)methoxy]acetate Traditional Name: 2-(2-cyanobenzyl)oxyacetic acid [3-[(5-nitro-2-pyridyl)carbamoyl]phenyl] ester Formula: C22H16N4O6 MolecularWeight: 432.38564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCC(=O)OC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)COCC(=O)OC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N4O6/c23-11-16-4-1-2-5-17(16)13-31-14-21(27)32-19-7-3-6-15(10-19)22(28)25-20-9-8-18(12-24-20)26(29)30/h1-10,12H,13-14H2,(H,24,25,28)