N-[3-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-(2,6-dimethoxynicotinoyl)pyrazolidin-1-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O7/c1-32-17-9-8-16(20(23-17)33-2)21(29)25-13-3-12-24(25)18(27)10-11-22-19(28)14-4-6-15(7-5-14)26(30)31/h4-9H,3,10-13H2,1-2H3,(H,22,28)