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

Systemtic Name: 2-[[1-(2-methylpropyl)-4-nitro-pyrrol-2-yl]carbonylamino]ethylcarbamic acid Openeye Name: 2-[(1-isobutyl-4-nitro-pyrrole-2-carbonyl)amino]ethylcarbamic acid CAS Name: 2-[[[1-(2-methylpropyl)-4-nitro-2-pyrrolyl]-oxomethyl]amino]ethylcarbamic acid IUPAC Name: 2-[[1-(2-methylpropyl)-4-nitropyrrole-2-carbonyl]amino]ethylcarbamic acid Traditional Name: 2-[(1-isobutyl-4-nitro-pyrrole-2-carbonyl)amino]ethylcarbamic acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5/c1-8(2)6-15-7-9(16(20)21)5-10(15)11(17)13-3-4-14-12(18)19/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,17)(H,18,19)