4-(1,3-benzodioxol-5-yl)-1-methyl-6-oxidanylidene-2-[(2E)-2-(phenylmethylidene)hydrazinyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-6-oxidanylidene-2-[(2E)-2-(phenylmethylidene)hydrazinyl]pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazino]-1-methyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-6-oxo-2-[(2E)-2-(phenylmethylene)hydrazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 2-[(N'E)-N'-benzalhydrazino]-4-(1,3-benzodioxol-5-yl)-6-keto-1-methyl-pyrimidine-5-carbonitrile Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NN=CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1N/N=C/C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H15N5O3/c1-25-19(26)15(10-21)18(14-7-8-16-17(9-14)28-12-27-16)23-20(25)24-22-11-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3,(H,23,24)/b22-11+