ethanedioic acid; 1-(2-nitroimidazol-1-yl)-3-[(phenylmethyl)amino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(2-nitroimidazol-1-yl)-3-[(phenylmethyl)amino]propan-2-ol Openeye Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol; oxalic acid CAS Name: 1-(2-nitro-1-imidazolyl)-3-[(phenylmethyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-(benzylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol; oxalic acid Formula: C15H18N4O7 MolecularWeight: 366.32602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CN2C=CN=C2[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CN2C=CN=C2[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N4O3.C2H2O4/c18-12(9-14-8-11-4-2-1-3-5-11)10-16-7-6-15-13(16)17(19)20;3-1(4)2(5)6/h1-7,12,14,18H,8-10H2;(H,3,4)(H,5,6)