N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-chloro-2-phenyl-5-benzotriazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C23H19ClN6O3 MolecularWeight: 462.88836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN6O3/c24-17-13-19-20(27-29(26-19)16-6-2-1-3-7-16)14-18(17)25-23(31)15-8-9-21(22(12-15)30(32)33)28-10-4-5-11-28/h1-3,6-9,12-14H,4-5,10-11H2,(H,25,31)