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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC(CO)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-3-4-14-6-8(15(19)20)5-10(14)11(17)13-9(7-16)12(18)21-2/h5-6,9,16H,3-4,7H2,1-2H3,(H,13,17)