4-[[(E)-N'-[[(5-nitropyridin-2-yl)amino]methyl]carbamimidoyl]amino]-3-phenylmethoxy-benzamide

Systemtic Name: 4-[[(E)-N'-[[(5-nitropyridin-2-yl)amino]methyl]carbamimidoyl]amino]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-4-[[(E)-N'-[[(5-nitro-2-pyridyl)amino]methyl]carbamimidoyl]amino]benzamide CAS Name: 4-[[(E)-amino-[[(5-nitro-2-pyridinyl)amino]methylimino]methyl]amino]-3-phenylmethoxybenzamide IUPAC Name: 4-[[(E)-N'-[[(5-nitropyridin-2-yl)amino]methyl]carbamimidoyl]amino]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-4-[[(E)-N'-[[(5-nitro-2-pyridyl)amino]methyl]amidino]amino]benzamide Formula: C21H21N7O4 MolecularWeight: 435.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)N)NC(=NCNC3=NC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)N)N/C(=N/CNC3=NC=C(C=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C21H21N7O4/c22-20(29)15-6-8-17(18(10-15)32-12-14-4-2-1-3-5-14)27-21(23)26-13-25-19-9-7-16(11-24-19)28(30)31/h1-11H,12-13H2,(H2,22,29)(H,24,25)(H3,23,26,27)