(4-oxidanylidene-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: (4-oxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (4-oxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) ester IUPAC Name: (4-oxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (4-keto-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl) ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(=CC2=O)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)CC(=CC2=O)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClNO5/c18-11-5-6-14(15(8-11)19(22)23)17(21)24-12-7-10-3-1-2-4-13(10)16(20)9-12/h5-6,8-10,13H,1-4,7H2