1-methyl-4-(2-nitro-1-prop-2-ynoxy-ethyl)benzene

Systemtic Name: 1-methyl-4-(2-nitro-1-prop-2-ynoxy-ethyl)benzene Openeye Name: 1-methyl-4-(2-nitro-1-prop-2-ynoxy-ethyl)benzene CAS Name: 1-methyl-4-(2-nitro-1-prop-2-ynoxyethyl)benzene IUPAC Name: 1-methyl-4-(2-nitro-1-prop-2-ynoxyethyl)benzene Traditional Name: 1-methyl-4-(2-nitro-1-propargyloxy-ethyl)benzene Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-3-8-16-12(9-13(14)15)11-6-4-10(2)5-7-11/h1,4-7,12H,8-9H2,2H3