N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-16-12-18(3)25-22(13-16)29-27(35-25)20-7-6-17(2)21(14-20)28-26(32)19-8-9-23(24(15-19)31(33)34)30-10-4-5-11-30/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,28,32)