2,4,5-tris(azanyl)-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)cyclohexa-2,5-dien-1-ol

Systemtic Name: 2,4,5-tris(azanyl)-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)cyclohexa-2,5-dien-1-ol Openeye Name: 2,4,5-triamino-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)cyclohexa-2,5-dien-1-ol CAS Name: 2,4,5-triamino-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)-1-cyclohexa-2,5-dienol IUPAC Name: 2,4,5-triamino-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)cyclohexa-2,5-dien-1-ol Traditional Name: 2,4,5-triamino-1-(2-hydroxyethyl)-4-nitro-3-(1H-pyrazol-5-ylmethyl)cyclohexa-2,5-dien-1-ol Formula: C12H18N6O4 MolecularWeight: 310.30912

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN=C1)CC2=C(C(C=C(C2(N)[N+](=O)[O-])N)(CCO)O)N

Isomeric SMILES

C1=C(NN=C1)CC2=C(C(C=C(C2(N)[N+](=O)[O-])N)(CCO)O)N

InChI

InChI=1S/C12H18N6O4/c13-9-6-11(20,2-4-19)10(14)8(12(9,15)18(21)22)5-7-1-3-16-17-7/h1,3,6,19-20H,2,4-5,13-15H2,(H,16,17)