3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-3-(3-oxidanylidene-1H-2-benzofuran-1-yl)propanamide

Systemtic Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-3-(3-oxidanylidene-1H-2-benzofuran-1-yl)propanamide Openeye Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1H-isobenzofuran-1-yl)propanamide CAS Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1H-isobenzofuran-1-yl)propanamide IUPAC Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide Traditional Name: 2-keto-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phthalidyl-propionamide Formula: C18H10N4O8S MolecularWeight: 442.359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O8S/c23-14(13(22(28)29)15-9-3-1-2-4-10(9)17(25)30-15)16(24)20-18-19-11-6-5-8(21(26)27)7-12(11)31-18/h1-7,13,15H,(H,19,20,24)