N-(2-methyl-6-propan-2-yl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-14(2)17-8-6-7-15(3)20(17)22-21(25)16-9-10-18(19(13-16)24(26)27)23-11-4-5-12-23/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,25)