1-nitro-4-phenyl-benzene; 4-prop-2-enoxybenzoate

Systemtic Name: 1-nitro-4-phenyl-benzene; 4-prop-2-enoxybenzoate Openeye Name: 4-allyloxybenzoate; 1-nitro-4-phenyl-benzene CAS Name: 1-nitro-4-phenylbenzene; 4-prop-2-enoxybenzoate IUPAC Name: 1-nitro-4-phenylbenzene; 4-prop-2-enoxybenzoate Traditional Name: 4-allyloxybenzoate; 1-nitro-4-phenyl-benzene Formula: C22H18NO5- MolecularWeight: 376.38202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO2.C10H10O3/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-7-13-9-5-3-8(4-6-9)10(11)12/h1-9H;2-6H,1,7H2,(H,11,12)/p-1