acetamido 2-ethyl-4-nitro-benzoate; bicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: acetamido 2-ethyl-4-nitro-benzoate; bicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: acetamido 2-ethyl-4-nitro-benzoate; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-ethyl-4-nitrobenzoic acid acetamido ester IUPAC Name: acetamido 2-ethyl-4-nitrobenzoate; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-ethyl-4-nitro-benzoic acid acetamido ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)ONC(=O)C.C1=CC2=CC2=C1

Isomeric SMILES

CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)ONC(=O)C.C1=CC2=CC2=C1

InChI

InChI=1S/C11H12N2O5.C6H4/c1-3-8-6-9(13(16)17)4-5-10(8)11(15)18-12-7(2)14;1-2-5-4-6(5)3-1/h4-6H,3H2,1-2H3,(H,12,14);1-4H