nitro prop-2-enoate; phenol; prop-2-enenitrile

Systemtic Name: nitro prop-2-enoate; phenol; prop-2-enenitrile Openeye Name: nitro prop-2-enoate; phenol; prop-2-enenitrile CAS Name: phenol; 2-propenenitrile; 2-propenoic acid nitro ester IUPAC Name: nitro prop-2-enoate; phenol; prop-2-enenitrile Traditional Name: acrylic acid nitro ester; acrylonitrile; phenol Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O.C3H3NO4.C3H3N/c7-6-4-2-1-3-5-6;1-2-3(5)8-4(6)7;1-2-3-4/h1-5,7H;2H,1H2;2H,1H2