N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN3O4/c1-13(14-6-8-19(28-2)16(21)11-14)22-20(25)15-5-7-17(18(12-15)24(26)27)23-9-3-4-10-23/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,25)