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

Systemtic Name: N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(3-chloro-4-pyrrolidin-1-yl-phenyl)-4-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(3-chloro-4-pyrrolidino-phenyl)-4-methyl-3-nitro-benzamide Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3/c1-12-4-5-13(10-17(12)22(24)25)18(23)20-14-6-7-16(15(19)11-14)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)