[(1R,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-nitrobenzoate Openeye Name: [(1R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] ester IUPAC Name: [(1R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydro-1H-inden-1-yl] ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5/c1-17-9-8-14(19)10-12(17)4-7-15(17)23-16(20)11-2-5-13(6-3-11)18(21)22/h2-3,5-6,10,15H,4,7-9H2,1H3/t15-,17+/m1/s1