4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]-piperonylic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H17N3O5/c23-20(24)12-5-7-13(8-6-12)25-21(26)15-4-2-1-3-14(15)18-16(22(27)28)9-10-17-19(18)30-11-29-17/h1-10H,11H2,(H3,23,24)(H,25,26)(H,27,28)