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

Systemtic Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-19(11-13-10-18-20(2)12-13)17(23)14-5-6-15(16(9-14)22(24)25)21-7-3-4-8-21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3