2-[cyclopropylmethyl-(1-ethyl-4-nitro-pyrrol-2-yl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-(1-ethyl-4-nitro-pyrrol-2-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[(1-ethyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(1-ethyl-4-nitropyrrole-2-carbonyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-(1-ethyl-4-nitro-pyrrole-2-carbonyl)amino]acetic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)N(CC2CC2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=C1C(=O)N(CC2CC2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-14-7-10(16(20)21)5-11(14)13(19)15(8-12(17)18)6-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)