(4-nitrophenyl)methyl N-[[carbamimidoyl(phenyl)amino]methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[[carbamimidoyl(phenyl)amino]methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(N-carbamimidoylanilino)methyl]carbamate CAS Name: N-[(N-carbamimidoylanilino)methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(N-carbamimidoylanilino)methyl]carbamate Traditional Name: N-[(N-amidinoanilino)methyl]carbamic acid (4-nitrobenzyl) ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C16H17N5O4/c17-15(18)20(13-4-2-1-3-5-13)11-19-16(22)25-10-12-6-8-14(9-7-12)21(23)24/h1-9H,10-11H2,(H3,17,18)(H,19,22)