N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(3-chloro-4-pyrrolidin-1-yl-phenyl)-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(3-chloro-4-pyrrolidino-phenyl)-4-ethoxy-3-nitro-benzamide Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4/c1-2-27-18-8-5-13(11-17(18)23(25)26)19(24)21-14-6-7-16(15(20)12-14)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)