N-(3-chloranyl-4-methoxy-phenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-5-nitro-2-pyrrolidino-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)Cl

InChI

InChI=1S/C18H18ClN3O4/c1-26-17-7-4-12(10-15(17)19)20-18(23)14-11-13(22(24)25)5-6-16(14)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)