[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-7(11(16)13-8-3-4-8)20-12(17)10-5-9(15(18)19)6-14(10)2/h5-8H,3-4H2,1-2H3,(H,13,16)