3-[[6-[[1-(2-methylpropyl)-4-nitro-pyrrol-2-yl]carbonylamino]-1H-indol-2-yl]carbonylamino]propylcarbamic acid

Systemtic Name: 3-[[6-[[1-(2-methylpropyl)-4-nitro-pyrrol-2-yl]carbonylamino]-1H-indol-2-yl]carbonylamino]propylcarbamic acid Openeye Name: 3-[[6-[(1-isobutyl-4-nitro-pyrrole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]propylcarbamic acid CAS Name: 3-[[[6-[[[1-(2-methylpropyl)-4-nitro-2-pyrrolyl]-oxomethyl]amino]-1H-indol-2-yl]-oxomethyl]amino]propylcarbamic acid IUPAC Name: 3-[[6-[[1-(2-methylpropyl)-4-nitropyrrole-2-carbonyl]amino]-1H-indole-2-carbonyl]amino]propylcarbamic acid Traditional Name: 3-[[6-[(1-isobutyl-4-nitro-pyrrole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]propylcarbamic acid Formula: C22H26N6O6 MolecularWeight: 470.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C=C1C(=O)NC2=CC3=C(C=C2)C=C(N3)C(=O)NCCCNC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C=C(C=C1C(=O)NC2=CC3=C(C=C2)C=C(N3)C(=O)NCCCNC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O6/c1-13(2)11-27-12-16(28(33)34)10-19(27)21(30)25-15-5-4-14-8-18(26-17(14)9-15)20(29)23-6-3-7-24-22(31)32/h4-5,8-10,12-13,24,26H,3,6-7,11H2,1-2H3,(H,23,29)(H,25,30)(H,31,32)