4-[methyl-(4-nitro-1-propan-2-yl-pyrrol-2-yl)carbonyl-amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N(C)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N(C)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5/c1-9(2)15-8-10(16(20)21)7-11(15)13(19)14(3)6-4-5-12(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)