4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoate

Systemtic Name: 4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]butanoate CAS Name: 4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]butanoate Traditional Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]butyrate Formula: C10H12N3O5- MolecularWeight: 254.21938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O5/c1-12-6-7(13(17)18)5-8(12)10(16)11-4-2-3-9(14)15/h5-6H,2-4H2,1H3,(H,11,16)(H,14,15)/p-1