N-(3-azanylpyridin-4-yl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide

Systemtic Name: N-(3-azanylpyridin-4-yl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide Openeye Name: N-(3-amino-4-pyridyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide CAS Name: N-(3-amino-4-pyridinyl)-4-[[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]methyl]benzamide IUPAC Name: N-(3-aminopyridin-4-yl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide Traditional Name: N-(3-amino-4-pyridyl)-4-[[(4-nitrobenzyl)carbamoylamino]methyl]benzamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=NC=C3)N

InChI

InChI=1S/C21H20N6O4/c22-18-13-23-10-9-19(18)26-20(28)16-5-1-14(2-6-16)11-24-21(29)25-12-15-3-7-17(8-4-15)27(30)31/h1-10,13H,11-12,22H2,(H,23,26,28)(H2,24,25,29)