diethyl 2-[[cyclopropyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyridin-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[cyclopropyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyridin-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[cyclopropyl-[6-(4-methylpiperazin-1-yl)-5-nitro-2-pyridyl]amino]methylene]propanedioate CAS Name: 2-[[cyclopropyl-[6-(4-methyl-1-piperazinyl)-5-nitro-2-pyridinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[cyclopropyl-[6-(4-methylpiperazin-1-yl)-5-nitropyridin-2-yl]amino]methylidene]propanedioate Traditional Name: 2-[[cyclopropyl-[6-(4-methylpiperazino)-5-nitro-2-pyridyl]amino]methylene]malonic acid diethyl ester Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C)C(=O)OCC

InChI

InChI=1S/C21H29N5O6/c1-4-31-20(27)16(21(28)32-5-2)14-25(15-6-7-15)18-9-8-17(26(29)30)19(22-18)24-12-10-23(3)11-13-24/h8-9,14-15H,4-7,10-13H2,1-3H3