methyl (2R)-2-cycloheptyl-3-[(4-nitrophenyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl (2R)-2-cycloheptyl-3-[(4-nitrophenyl)amino]-3-oxidanylidene-propanoate Openeye Name: methyl (2R)-2-cycloheptyl-3-(4-nitroanilino)-3-oxo-propanoate CAS Name: (2R)-2-cycloheptyl-3-(4-nitroanilino)-3-oxopropanoic acid methyl ester IUPAC Name: methyl (2R)-2-cycloheptyl-3-(4-nitroanilino)-3-oxopropanoate Traditional Name: (2R)-2-cycloheptyl-3-keto-3-(4-nitroanilino)propionic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCCC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](C1CCCCCC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-24-17(21)15(12-6-4-2-3-5-7-12)16(20)18-13-8-10-14(11-9-13)19(22)23/h8-12,15H,2-7H2,1H3,(H,18,20)/t15-/m1/s1