2-[[1-(3-methylbutyl)-4-nitro-pyrrol-2-yl]carbonylamino]ethylcarbamic acid

Systemtic Name: 2-[[1-(3-methylbutyl)-4-nitro-pyrrol-2-yl]carbonylamino]ethylcarbamic acid Openeye Name: 2-[(1-isopentyl-4-nitro-pyrrole-2-carbonyl)amino]ethylcarbamic acid CAS Name: 2-[[[1-(3-methylbutyl)-4-nitro-2-pyrrolyl]-oxomethyl]amino]ethylcarbamic acid IUPAC Name: 2-[[1-(3-methylbutyl)-4-nitropyrrole-2-carbonyl]amino]ethylcarbamic acid Traditional Name: 2-[(1-isoamyl-4-nitro-pyrrole-2-carbonyl)amino]ethylcarbamic acid Formula: C13H20N4O5 MolecularWeight: 312.3217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O5/c1-9(2)3-6-16-8-10(17(21)22)7-11(16)12(18)14-4-5-15-13(19)20/h7-9,15H,3-6H2,1-2H3,(H,14,18)(H,19,20)