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

Systemtic Name: N-(3-methylpyridin-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methyl-2-pyridyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methyl-2-pyridinyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methylpyridin-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methyl-2-pyridyl)-3-nitro-4-pyrrolidino-benzamide Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-12-5-4-8-18-16(12)19-17(22)13-6-7-14(15(11-13)21(23)24)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3,(H,18,19,22)