ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(4-chloro-3-nitro-benzoyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitrobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C22H18ClN3O5 MolecularWeight: 439.84842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5/c1-2-31-22(28)16-3-6-18(7-4-16)25(14-15-9-11-24-12-10-15)21(27)17-5-8-19(23)20(13-17)26(29)30/h3-13H,2,14H2,1H3