ethyl N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyano-prop-2-enoyl]carbamate

Systemtic Name: ethyl N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyano-prop-2-enoyl]carbamate Openeye Name: ethyl N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyano-prop-2-enoyl]carbamate CAS Name: N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyano-1-oxoprop-2-enyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyanoprop-2-enoyl]carbamate Traditional Name: N-[(E)-3-(3H-1,2-benzodioxol-6-ylamino)-2-cyano-acryloyl]carbamic acid ethyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(=CNC1=CC2=C(COO2)C=C1)C#N

Isomeric SMILES

CCOC(=O)NC(=O)/C(=C/NC1=CC2=C(COO2)C=C1)/C#N

InChI

InChI=1S/C14H13N3O5/c1-2-20-14(19)17-13(18)10(6-15)7-16-11-4-3-9-8-21-22-12(9)5-11/h3-5,7,16H,2,8H2,1H3,(H,17,18,19)/b10-7+