methyl 4-methyl-2-[(5-nitrothiophen-2-yl)carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(5-nitrothiophen-2-yl)carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]pentanoate CAS Name: 4-methyl-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]pentanoate Traditional Name: 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]valeric acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-7(2)6-8(12(16)19-3)13-11(15)9-4-5-10(20-9)14(17)18/h4-5,7-8H,6H2,1-3H3,(H,13,15)