2-(1,3-benzodioxol-5-yl)-2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(4-carbamimidoylanilino)acetate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-carbamimidoylanilino)acetate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)-2-(1,3-benzodioxol-5-yl)acetate Formula: C16H14N3O4- MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C16H15N3O4/c17-15(18)9-1-4-11(5-2-9)19-14(16(20)21)10-3-6-12-13(7-10)23-8-22-12/h1-7,14,19H,8H2,(H3,17,18)(H,20,21)/p-1