N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4/c1-16-12-21-24(13-17(16)2)34-26(28-21)19-6-5-7-20(14-19)27-25(31)18-8-9-22(23(15-18)30(32)33)29-10-3-4-11-29/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,27,31)