N-(3-methylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(m-tolyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(m-tolyl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-13-5-4-6-15(11-13)19-18(22)14-7-8-16(17(12-14)21(23)24)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)