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

Systemtic Name: ethyl 4-[(2-methyl-3-nitro-phenyl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-methyl-3-nitro-benzoyl)-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(2-methyl-3-nitrophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-3-nitrobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(2-methyl-3-nitro-benzoyl)-(3-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=CN=CC=C2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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