(phenylmethyl) N-(4-nitrophenyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-(4-nitrophenyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Openeye Name: benzyl N-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-N-(4-nitrophenyl)carbamate CAS Name: N-[(E)-amino(phenylmethoxycarbonylimino)methyl]-N-(4-nitrophenyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(4-nitrophenyl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[(E)-N'-carbobenzoxyamidino]-N-(4-nitrophenyl)carbamic acid benzyl ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N=C(N)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/N=C(\N)/N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N4O6/c24-21(25-22(28)32-15-17-7-3-1-4-8-17)26(19-11-13-20(14-12-19)27(30)31)23(29)33-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H2,24,25,28)