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

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

Isomeric SMILES

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

InChI

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