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

Systemtic Name: ethyl 4-[(3-methyl-4-nitro-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-methyl-4-nitro-benzoyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(3-methyl-4-nitrophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-4-nitrobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(3-methyl-4-nitro-benzoyl)-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-3-31-23(28)18-4-7-20(8-5-18)25(15-17-10-12-24-13-11-17)22(27)19-6-9-21(26(29)30)16(2)14-19/h4-14H,3,15H2,1-2H3