5-(4-ethoxy-4-oxidanylidene-butyl)-4-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene

Systemtic Name: 5-(4-ethoxy-4-oxidanylidene-butyl)-4-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene Openeye Name: 5-(4-ethoxy-4-oxo-butyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene CAS Name: 5-(4-ethoxy-4-oxobutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene IUPAC Name: 5-(4-ethoxy-4-oxobutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene Traditional Name: 5-(4-ethoxy-4-keto-butyl)-4-keto-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate; phenethylbenzene Formula: C27H30N3O5- MolecularWeight: 476.5442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCN2C(=CC(=N2)C(=O)[O-])C1=O.C1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCN1CCN2C(=CC(=N2)C(=O)[O-])C1=O.C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H14.C13H17N3O5/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-21-11(17)4-3-5-15-6-7-16-10(12(15)18)8-9(14-16)13(19)20/h1-10H,11-12H2;8H,2-7H2,1H3,(H,19,20)/p-1