N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-(3-nitrophenyl)ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-(3-nitrophenyl)ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-(3-nitrophenyl)acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-(3-nitrophenyl)acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-(3-nitrophenyl)acetamide Traditional Name: N-(4-amidinobenzyl)-2-methoxy-2-(3-nitrophenyl)acetamide Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H18N4O4/c1-25-15(13-3-2-4-14(9-13)21(23)24)17(22)20-10-11-5-7-12(8-6-11)16(18)19/h2-9,15H,10H2,1H3,(H3,18,19)(H,20,22)