N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitro-benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitro-benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-4-nitro-benzamide Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C16H16N4O4/c17-15(18)12-2-1-3-14(10-12)24-9-8-19-16(21)11-4-6-13(7-5-11)20(22)23/h1-7,10H,8-9H2,(H3,17,18)(H,19,21)