[2-oxidanylidene-2-(4-propylphenyl)ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClNO5/c1-2-3-12-4-6-13(7-5-12)17(21)11-25-18(22)15-9-8-14(19)10-16(15)20(23)24/h4-10H,2-3,11H2,1H3