2-methoxy-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 2-methoxy-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2-methoxy-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2-methoxy-5-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-methoxy-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2-methoxy-5-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C19H18N4O4S/c1-27-16-7-5-13(23(25)26)11-14(16)18(24)20-12-4-6-15-17(10-12)28-19(21-15)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,24)