1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-nitro-indole-3-sulfonic acid

Systemtic Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-nitro-indole-3-sulfonic acid Openeye Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-nitro-indole-3-sulfonic acid CAS Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-nitro-3-indolesulfonic acid IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-nitroindole-3-sulfonic acid Traditional Name: 1-(2-imidazolin-2-ylmethyl)-5-nitro-indole-3-sulfonic acid Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1CN=C(N1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H12N4O5S/c17-16(18)8-1-2-10-9(5-8)11(22(19,20)21)6-15(10)7-12-13-3-4-14-12/h1-2,5-6H,3-4,7H2,(H,13,14)(H,19,20,21)