ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-4-nitro-benzoyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(2-chloro-4-nitrophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-4-nitrobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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