methyl 2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(4-nitro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(1-isopropyl-4-nitro-pyrrole-2-carbonyl)amino]propionic acid methyl ester Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-7(2)14-5-8(15(19)20)4-10(14)11(17)13-9(6-16)12(18)21-3/h4-5,7,9,16H,6H2,1-3H3,(H,13,17)