[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H18N2O7/c1-2-25-17(24)18-13(20)10-26-15(22)7-8-19-14(21)9-11-5-3-4-6-12(11)16(19)23/h3-6H,2,7-10H2,1H3,(H,18,20,24)