4-(butan-2-ylamino)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 4-(butan-2-ylamino)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid Openeye Name: 6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-5-nitro-4-(sec-butylamino)pyridine-3-carboxylic acid CAS Name: 4-(butan-2-ylamino)-6-[(2-ethoxy-2-oxoethyl)amino]-2-methyl-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 4-(butan-2-ylamino)-6-[(2-ethoxy-2-oxoethyl)amino]-2-methyl-5-nitropyridine-3-carboxylic acid Traditional Name: 6-[(2-ethoxy-2-keto-ethyl)amino]-2-methyl-5-nitro-4-(sec-butylamino)nicotinic acid Formula: C15H22N4O6 MolecularWeight: 354.35838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC(=C1[N+](=O)[O-])NCC(=O)OCC)C)C(=O)O

Isomeric SMILES

CCC(C)NC1=C(C(=NC(=C1[N+](=O)[O-])NCC(=O)OCC)C)C(=O)O

InChI

InChI=1S/C15H22N4O6/c1-5-8(3)17-12-11(15(21)22)9(4)18-14(13(12)19(23)24)16-7-10(20)25-6-2/h8H,5-7H2,1-4H3,(H,21,22)(H2,16,17,18)