ethyl 4-[1-[1,3-bis(oxidanylidene)inden-2-ylidene]ethyl]piperazine-1-carboxylate hydrate

Systemtic Name: ethyl 4-[1-[1,3-bis(oxidanylidene)inden-2-ylidene]ethyl]piperazine-1-carboxylate hydrate Openeye Name: ethyl 4-[1-(1,3-dioxoindan-2-ylidene)ethyl]piperazine-1-carboxylate hydrate CAS Name: 4-[1-(1,3-dioxo-2-indenylidene)ethyl]-1-piperazinecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 4-[1-(1,3-dioxoinden-2-ylidene)ethyl]piperazine-1-carboxylate hydrate Traditional Name: 4-[1-(1,3-diketoindan-2-ylidene)ethyl]piperazine-1-carboxylic acid ethyl ester hydrate Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=C2C(=O)C3=CC=CC=C3C2=O)C.O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=C2C(=O)C3=CC=CC=C3C2=O)C.O

InChI

InChI=1S/C18H20N2O4.H2O/c1-3-24-18(23)20-10-8-19(9-11-20)12(2)15-16(21)13-6-4-5-7-14(13)17(15)22;/h4-7H,3,8-11H2,1-2H3;1H2