N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N4O4/c1-11(12-7-8-15-16(9-12)27-10-26-15)20-21-18(24)17-13-5-3-4-6-14(13)19(25)23(2)22-17/h3-9H,10H2,1-2H3,(H,21,24)/b20-11+