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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C.C1=CC2=CC2=C1

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C.C1=CC2=CC2=C1

InChI

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