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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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