6-[ethyl-(phenylmethyl)amino]-2-methyl-4-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 6-[ethyl-(phenylmethyl)amino]-2-methyl-4-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid Openeye Name: 6-[benzyl(ethyl)amino]-2-methyl-4-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid CAS Name: 6-[ethyl-(phenylmethyl)amino]-2-methyl-4-(4-methyl-1-piperazinyl)-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 6-[benzyl(ethyl)amino]-2-methyl-4-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid Traditional Name: 6-[benzyl(ethyl)amino]-2-methyl-4-(4-methylpiperazino)-5-nitro-nicotinic acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C(=C(C(=N2)C)C(=O)O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C(=C(C(=N2)C)C(=O)O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-4-24(14-16-8-6-5-7-9-16)20-19(26(29)30)18(17(21(27)28)15(2)22-20)25-12-10-23(3)11-13-25/h5-9H,4,10-14H2,1-3H3,(H,27,28)