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

Systemtic Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(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=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C)C

InChI

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