[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-4-8(2)13-11(16)7-20-12(17)10-5-9(15(18)19)6-14(10)3/h5-6,8H,4,7H2,1-3H3,(H,13,16)