2-[(4-cyanophenyl)amino]-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N2O5/c1-22-13-6-11(7-14-16(13)24-9-23-14)15(17(20)21)19-12-4-2-10(8-18)3-5-12/h2-7,15,19H,9H2,1H3,(H,20,21)