4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzamide Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzamide CAS Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-nitrobenzamide IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O3S/c19-17(23)11-7-8-13(15(10-11)22(24)25)21-9-3-5-14(21)18-20-12-4-1-2-6-16(12)26-18/h1-2,4,6-8,10,14H,3,5,9H2,(H2,19,23)/t14-/m1/s1