N-(3-azanyl-3-azanylidene-propyl)-4-[[(3-carbamimidoylphenyl)amino]diazenyl]benzamide; benzoic acid

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-4-[[(3-carbamimidoylphenyl)amino]diazenyl]benzamide; benzoic acid Openeye Name: N-(3-amino-3-imino-propyl)-4-(3-carbamimidoylanilino)azo-benzamide; benzoic acid CAS Name: N-(3-amino-3-iminopropyl)-4-(3-carbamimidoylanilino)azobenzamide; benzoic acid IUPAC Name: N-(3-amino-3-iminopropyl)-4-[(3-carbamimidoylanilino)diazenyl]benzamide; benzoic acid Traditional Name: 4-(3-amidinoanilino)azo-N-(3-amino-3-imino-propyl)benzamide; benzoic acid Formula: C31H32N8O5 MolecularWeight: 596.63638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC(=CC(=C1)NN=NC2=CC=C(C=C2)C(=O)NCCC(=N)N)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC(=CC(=C1)NN=NC2=CC=C(C=C2)C(=O)NCCC(=N)N)C(=N)N

InChI

InChI=1S/C17H20N8O.2C7H6O2/c18-15(19)8-9-22-17(26)11-4-6-13(7-5-11)23-25-24-14-3-1-2-12(10-14)16(20)21;2*8-7(9)6-4-2-1-3-5-6/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,26)(H,23,24);2*1-5H,(H,8,9)