1-methyl-2-nitro-benzene; 2-(trimethylazaniumyl)ethanoate; hydrate

Systemtic Name: 1-methyl-2-nitro-benzene; 2-(trimethylazaniumyl)ethanoate; hydrate Openeye Name: 1-methyl-2-nitro-benzene; 2-(trimethylammonio)acetate; hydrate CAS Name: 1-methyl-2-nitrobenzene; 2-(trimethylammonio)acetate; hydrate IUPAC Name: 1-methyl-2-nitrobenzene; 2-(trimethylazaniumyl)acetate; hydrate Traditional Name: 1-methyl-2-nitro-benzene; 2-(trimethylammonio)acetate; hydrate Formula: C12H20N2O5 MolecularWeight: 272.2976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+](=O)[O-].C[N+](C)(C)CC(=O)[O-].O

Isomeric SMILES

CC1=CC=CC=C1[N+](=O)[O-].C[N+](C)(C)CC(=O)[O-].O

InChI

InChI=1S/C7H7NO2.C5H11NO2.H2O/c1-6-4-2-3-5-7(6)8(9)10;1-6(2,3)4-5(7)8;/h2-5H,1H3;4H2,1-3H3;1H2