2-[[1-[3,4-bis(azanyl)-1H-pyrazol-5-yl]-3-oxidanyl-propyl]amino]-4-nitro-phenol

Systemtic Name: 2-[[1-[3,4-bis(azanyl)-1H-pyrazol-5-yl]-3-oxidanyl-propyl]amino]-4-nitro-phenol Openeye Name: 2-[[1-(3,4-diamino-1H-pyrazol-5-yl)-3-hydroxy-propyl]amino]-4-nitro-phenol CAS Name: 2-[[1-(3,4-diamino-1H-pyrazol-5-yl)-3-hydroxypropyl]amino]-4-nitrophenol IUPAC Name: 2-[[1-(3,4-diamino-1H-pyrazol-5-yl)-3-hydroxypropyl]amino]-4-nitrophenol Traditional Name: 2-[[1-(3,4-diamino-1H-pyrazol-5-yl)-3-hydroxy-propyl]amino]-4-nitro-phenol Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(CCO)C2=C(C(=NN2)N)N)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(CCO)C2=C(C(=NN2)N)N)O

InChI

InChI=1S/C12H16N6O4/c13-10-11(16-17-12(10)14)7(3-4-19)15-8-5-6(18(21)22)1-2-9(8)20/h1-2,5,7,15,19-20H,3-4,13H2,(H3,14,16,17)