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

Systemtic Name: N-(2-azanylpyridin-3-yl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide Openeye Name: N-(2-amino-3-pyridyl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide CAS Name: N-(2-amino-3-pyridinyl)-4-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzamide IUPAC Name: N-(2-aminopyridin-3-yl)-4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide Traditional Name: N-(2-amino-3-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(=C(N=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4/c23-21-19(2-1-13-24-21)26-22(29)17-8-3-16(4-9-17)14-25-20(28)12-7-15-5-10-18(11-6-15)27(30)31/h1-13H,14H2,(H2,23,24)(H,25,28)(H,26,29)/b12-7+