N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c1-16-4-11-23-20(14-16)27-25(33-23)17-5-8-19(9-6-17)26-24(30)18-7-10-21(22(15-18)29(31)32)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,30)