ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-4-nitro-phenyl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-4-nitro-benzoyl)-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(2-chloro-4-nitrophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-4-nitrobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(2-chloro-4-nitro-benzoyl)-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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