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

Systemtic Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-methyl-3-(5-methyl-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=C1)OC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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