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

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-5-nitro-2-pyrrolidino-benzamide Formula: C25H21BrN4O5 MolecularWeight: 537.36204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)Br

InChI

InChI=1S/C25H21BrN4O5/c1-34-22-8-4-15(12-19(22)26)25-28-20-13-16(5-9-23(20)35-25)27-24(31)18-14-17(30(32)33)6-7-21(18)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,31)