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

Systemtic Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyrrolidino-benzamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c24-17(20-18-19-13-5-4-12(22(25)26)10-16(13)29-18)11-3-6-14(15(9-11)23(27)28)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,19,20,24)