3-methyl-2-[(4-nitro-1-propyl-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-nitro-1-propyl-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(4-nitro-1-propyl-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(4-nitro-1-propyl-pyrrole-2-carbonyl)amino]butyric acid Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O5/c1-4-5-15-7-9(16(20)21)6-10(15)12(17)14-11(8(2)3)13(18)19/h6-8,11H,4-5H2,1-3H3,(H,14,17)(H,18,19)