methyl 4-acetamido-2-ethyl-4-nitro-6-(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 4-acetamido-2-ethyl-4-nitro-6-(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 4-acetamido-2-ethyl-6-(isopropylcarbamoylamino)-4-nitro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-acetamido-2-ethyl-4-nitro-6-[[oxo-(propan-2-ylamino)methyl]amino]-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-acetamido-2-ethyl-4-nitro-6-(propan-2-ylcarbamoylamino)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-acetamido-2-ethyl-6-(isopropylcarbamoylamino)-4-nitro-cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C16H24N4O6 MolecularWeight: 368.38496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C=C(C1C(=O)OC)NC(=O)NC(C)C)(NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(C=C(C1C(=O)OC)NC(=O)NC(C)C)(NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O6/c1-6-11-7-16(20(24)25,19-10(4)21)8-12(13(11)14(22)26-5)18-15(23)17-9(2)3/h7-9,13H,6H2,1-5H3,(H,19,21)(H2,17,18,23)