methyl 3-cyclohexyl-2-[(3-nitrophenyl)methyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-cyclohexyl-2-[(3-nitrophenyl)methyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-cyclohexyl-2-[(3-nitrophenyl)methyl]-3-oxo-propanoate CAS Name: 3-cyclohexyl-2-[(3-nitrophenyl)methyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-2-[(3-nitrophenyl)methyl]-3-oxopropanoate Traditional Name: 3-cyclohexyl-3-keto-2-(3-nitrobenzyl)propionic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCCCC2

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCCCC2

InChI

InChI=1S/C17H21NO5/c1-23-17(20)15(16(19)13-7-3-2-4-8-13)11-12-6-5-9-14(10-12)18(21)22/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3