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

Systemtic Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O5/c1-16-5-6-18(26-28-21-15-19(34-2)8-10-24(21)35-26)13-20(16)27-25(31)17-7-9-22(23(14-17)30(32)33)29-11-3-4-12-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,31)