N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c26-20(14-5-7-17(18(11-14)25(27)28)24-9-1-2-10-24)22-15-6-8-19-16(12-15)23-21(29-19)13-3-4-13/h5-8,11-13H,1-4,9-10H2,(H,22,26)