N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-nitro-benzamide; ethanoic acid

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-nitro-benzamide; ethanoic acid Openeye Name: acetic acid; N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloro-5-nitro-benzamide CAS Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-nitrobenzamide IUPAC Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-nitrobenzamide Traditional Name: acetic acid; N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-3-chloro-5-nitro-benzamide Formula: C19H20ClN5O7 MolecularWeight: 465.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=C(C=C1C(=N)N)OCC(=O)N)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC(=C(C=C1C(=N)N)OCC(=O)N)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O5.C2H4O2/c18-12-3-11(4-13(6-12)23(26)27)17(25)22-7-10-2-1-9(16(20)21)5-14(10)28-8-15(19)24;1-2(3)4/h1-6H,7-8H2,(H2,19,24)(H3,20,21)(H,22,25);1H3,(H,3,4)