(E)-2-cyano-9-(phenylcarbamoyloxy)non-2-enoic acid

Systemtic Name: (E)-2-cyano-9-(phenylcarbamoyloxy)non-2-enoic acid Openeye Name: (E)-2-cyano-9-(phenylcarbamoyloxy)non-2-enoic acid CAS Name: (E)-9-[anilino(oxo)methoxy]-2-cyano-2-nonenoic acid IUPAC Name: (E)-2-cyano-9-(phenylcarbamoyloxy)non-2-enoic acid Traditional Name: (E)-2-cyano-9-(phenylcarbamoyloxy)non-2-enoic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OCCCCCCC=C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)OCCCCCC/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C17H20N2O4/c18-13-14(16(20)21)9-5-2-1-3-8-12-23-17(22)19-15-10-6-4-7-11-15/h4,6-7,9-11H,1-3,5,8,12H2,(H,19,22)(H,20,21)/b14-9+