[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C15H23N3O5 MolecularWeight: 325.36022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5/c1-10(2)5-6-11(3)16-14(19)9-23-15(20)13-7-12(18(21)22)8-17(13)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,19)