N-ethyl-5-[[(3-nitrophenyl)carbonyl-(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-ethyl-5-[[(3-nitrophenyl)carbonyl-(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-ethyl-5-[[(3-nitrobenzoyl)-(4-pyridylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-ethyl-5-[[[(3-nitrophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-ethyl-5-[[(3-nitrobenzoyl)-(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-ethyl-5-[[(3-nitrobenzoyl)-(4-pyridylmethyl)amino]methyl]isoxazole-3-carboxamide Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-2-22-19(26)18-11-17(30-23-18)13-24(12-14-6-8-21-9-7-14)20(27)15-4-3-5-16(10-15)25(28)29/h3-11H,2,12-13H2,1H3,(H,22,26)