3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]prop-2-enenitrile

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]prop-2-enenitrile Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]prop-2-enenitrile CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-2-propenenitrile IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]prop-2-enenitrile Traditional Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]acrylonitrile Formula: C9H11N5O2 MolecularWeight: 221.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC=CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC=CC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H11N5O2/c1-8-12-7-9(14(15)16)13(8)6-5-11-4-2-3-10/h2,4,7,11H,5-6H2,1H3