N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H13BrN4O4 MolecularWeight: 429.22422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H13BrN4O4/c1-23-18(25)12-5-3-2-4-11(12)16(22-23)17(24)21-20-8-10-6-14-15(7-13(10)19)27-9-26-14/h2-8H,9H2,1H3,(H,21,24)/b20-8+