methyl 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O6/c1-23-16(21)9-12-17(22)18-6-7-19(12)15(20)5-3-11-2-4-13-14(8-11)25-10-24-13/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,22)/b5-3+