[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CN4C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-12(20-7-13-3-14(8-20)5-15(4-13)9-20)21-18(24)11-28-19(25)17-6-16(23(26)27)10-22(17)2/h6,10,12-15H,3-5,7-9,11H2,1-2H3,(H,21,24)/t12-,13?,14?,15?,20?/m0/s1