N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-phenyl-benzamide

Systemtic Name: N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-phenyl-benzamide Openeye Name: N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-phenyl-benzamide CAS Name: N-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-nitro-4-phenylbenzamide IUPAC Name: N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitro-4-phenylbenzamide Traditional Name: N-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-2-nitro-4-phenyl-benzamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])OCCN4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])OCCN4CCCC4

InChI

InChI=1S/C26H27N3O5/c1-33-25-18-21(10-12-24(25)34-16-15-28-13-5-6-14-28)27-26(30)22-11-9-20(17-23(22)29(31)32)19-7-3-2-4-8-19/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,30)