(E)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-oxo-but-2-enoate CAS Name: (E)-4-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-keto-but-2-enoate Formula: C14H13N2O4- MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H14N2O4/c17-12(5-6-13(18)19)15-14(20)16-8-7-10-3-1-2-4-11(10)9-16/h1-6H,7-9H2,(H,18,19)(H,15,17,20)/p-1/b6-5+