N-[(3-methylthiophen-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-methyl-2-thienyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-methyl-2-thienyl)methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-12-6-9-24-16(12)11-18-17(21)13-4-5-14(15(10-13)20(22)23)19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,18,21)