2-[(4-carbamimidoylphenyl)amino]-2-(3-nitrophenyl)-N-(phenylmethyl)ethanamide; ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-nitrophenyl)-N-(phenylmethyl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-benzyl-2-(4-carbamimidoylanilino)-2-(3-nitrophenyl)acetamide CAS Name: acetic acid; 2-(4-carbamimidoylanilino)-2-(3-nitrophenyl)-N-(phenylmethyl)acetamide IUPAC Name: acetic acid; N-benzyl-2-(4-carbamimidoylanilino)-2-(3-nitrophenyl)acetamide Traditional Name: acetic acid; 2-(4-amidinoanilino)-N-benzyl-2-(3-nitrophenyl)acetamide Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CNC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CNC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21N5O3.C2H4O2/c23-21(24)16-9-11-18(12-10-16)26-20(17-7-4-8-19(13-17)27(29)30)22(28)25-14-15-5-2-1-3-6-15;1-2(3)4/h1-13,20,26H,14H2,(H3,23,24)(H,25,28);1H3,(H,3,4)