3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phthalimido-propionamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c23-15(7-8-21-16(24)11-3-1-2-4-12(11)17(21)25)20-18-19-13-6-5-10(22(26)27)9-14(13)28-18/h1-6,9H,7-8H2,(H,19,20,23)