4-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(1-cyclopropyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]butanoic acid CAS Name: 4-[[(1-cyclopropyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-cyclopropyl-4-nitro-pyrrole-2-carbonyl)amino]butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C=C2C(=O)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C=C(C=C2C(=O)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c16-11(17)2-1-5-13-12(18)10-6-9(15(19)20)7-14(10)8-3-4-8/h6-8H,1-5H2,(H,13,18)(H,16,17)