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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

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