methyl 6-[2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(4-acetamido-3-nitrophenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(4-acetamido-3-nitrobenzoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H19N5O7 MolecularWeight: 441.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7/c1-12(26)22-15-6-4-13(10-17(15)25(30)31)18(27)23-8-3-9-24(23)19(28)16-7-5-14(11-21-16)20(29)32-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,26)