N-(2,4-dimethoxyphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,4-dimethoxyphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-26-14-6-7-15(18(12-14)27-2)20-19(23)13-5-8-16(17(11-13)22(24)25)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)