3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C17H11N5O4S MolecularWeight: 381.36534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O4S/c1-21-16(24)11-5-3-2-4-10(11)14(20-21)15(23)19-17-18-12-7-6-9(22(25)26)8-13(12)27-17/h2-8H,1H3,(H,18,19,23)