N-(3-azanylpyridin-4-yl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide

Systemtic Name: N-(3-azanylpyridin-4-yl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide Openeye Name: N-(3-amino-4-pyridyl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide CAS Name: N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzamide IUPAC Name: N-(3-aminopyridin-4-yl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide Traditional Name: N-(3-amino-4-pyridyl)-4-[[[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]benzamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=NC=C3)N

InChI

InChI=1S/C22H19N5O4/c23-19-14-24-12-11-20(19)26-22(29)17-6-1-16(2-7-17)13-25-21(28)10-5-15-3-8-18(9-4-15)27(30)31/h1-12,14H,13,23H2,(H,25,28)(H,24,26,29)/b10-5+