6-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indazole-3-carboxylic acid

Systemtic Name: 6-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indazole-3-carboxylic acid Openeye Name: 6-[(E)-N,N'-bis(benzyloxycarbonyl)carbamimidoyl]-1H-indazole-3-carboxylic acid CAS Name: 6-[(E)-phenylmethoxycarbonylamino(phenylmethoxycarbonylimino)methyl]-1H-indazole-3-carboxylic acid IUPAC Name: 6-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indazole-3-carboxylic acid Traditional Name: 6-[(E)-N,N'-dicarbobenzoxyamidino]-1H-indazole-3-carboxylic acid Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)C3=CC4=C(C=C3)C(=NN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N/C(=N/C(=O)OCC2=CC=CC=C2)/C3=CC4=C(C=C3)C(=NN4)C(=O)O

InChI

InChI=1S/C25H20N4O6/c30-23(31)21-19-12-11-18(13-20(19)28-29-21)22(26-24(32)34-14-16-7-3-1-4-8-16)27-25(33)35-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,28,29)(H,30,31)(H,26,27,32,33)