4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-oxo-but-2-enoate CAS Name: 4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-oxo-2-butenoate IUPAC Name: 4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-oxobut-2-enoate Traditional Name: 4-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-4-keto-but-2-enoate Formula: C13H12NO5- MolecularWeight: 262.23808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H13NO5/c1-8(14-12(15)4-5-13(16)17)9-2-3-10-11(6-9)19-7-18-10/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1