ethyl 4-(ethylamino)-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 4-(ethylamino)-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 4-(ethylamino)-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylate CAS Name: 4-(ethylamino)-2-methyl-6-(4-methyl-1-piperazinyl)-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylate Traditional Name: 4-(ethylamino)-2-methyl-6-(4-methylpiperazino)-5-nitro-nicotinic acid ethyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C)C)C(=O)OCC

Isomeric SMILES

CCNC1=C(C(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C)C)C(=O)OCC

InChI

InChI=1S/C16H25N5O4/c1-5-17-13-12(16(22)25-6-2)11(3)18-15(14(13)21(23)24)20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H,17,18)