2-[[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C17H20N3O4- MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H21N3O4/c1-10(2)19-11(3)7-15(12(19)4)17(22)18-9-13-8-14(20(23)24)5-6-16(13)21/h5-8,10,21H,9H2,1-4H3,(H,18,22)/p-1