4-nitro-3-oxidanyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-nitro-3-oxidanyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-hydroxy-4-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-hydroxy-4-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-hydroxy-4-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-hydroxy-4-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O4S/c23-15-9-11(3-6-14(15)22(25)26)17(24)19-12-4-5-13-16(10-12)27-18(20-13)21-7-1-2-8-21/h3-6,9-10,23H,1-2,7-8H2,(H,19,24)