N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c30-24(19-11-12-21(22(15-19)29(31)32)28-13-3-4-14-28)26-16-17-7-9-18(10-8-17)25-27-20-5-1-2-6-23(20)33-25/h1-2,5-12,15H,3-4,13-14,16H2,(H,26,30)