N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]phthalazine-1-carboxamide Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H17N5O6/c1-11(2)24-20(27)14-6-4-3-5-13(14)18(23-24)19(26)22-21-9-12-7-16-17(31-10-30-16)8-15(12)25(28)29/h3-9,11H,10H2,1-2H3,(H,22,26)/b21-9+