methyl (1R,4aS)-1,4a-dimethyl-7-nitro-9-oxidanylidene-3,4-dihydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS)-1,4a-dimethyl-7-nitro-9-oxidanylidene-3,4-dihydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS)-1,4a-dimethyl-7-nitro-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aS)-1,4a-dimethyl-7-nitro-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS)-1,4a-dimethyl-7-nitro-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aS)-9-keto-1,4a-dimethyl-7-nitro-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1=CC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])(C)C(=O)OC

Isomeric SMILES

C[C@@]12CCC[C@@](C1=CC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])(C)C(=O)OC

InChI

InChI=1S/C18H19NO5/c1-17-7-4-8-18(2,16(21)24-3)15(17)10-14(20)12-9-11(19(22)23)5-6-13(12)17/h5-6,9-10H,4,7-8H2,1-3H3/t17-,18+/m0/s1