N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-piazthiol-4-yl-4-pyrrolidino-benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=NSN=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=NSN=C43)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-17(18-12-4-3-5-13-16(12)20-26-19-13)11-6-7-14(15(10-11)22(24)25)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2,(H,18,23)