ethyl (1S,6R)-6-methyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6R)-6-methyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-(3-nitroanilino)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O5/c1-3-23-16(20)15-10(2)7-12(9-14(15)19)17-11-5-4-6-13(8-11)18(21)22/h4-6,8-10,15,17H,3,7H2,1-2H3/t10-,15+/m1/s1