methyl (2S)-2-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-cyclohexyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-cyclohexyl-propanoate Openeye Name: methyl (2S)-2-(4-carbamoyl-2-nitro-anilino)-3-cyclohexyl-propanoate CAS Name: (2S)-2-(4-carbamoyl-2-nitroanilino)-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(4-carbamoyl-2-nitroanilino)-3-cyclohexylpropanoate Traditional Name: (2S)-2-(4-carbamoyl-2-nitro-anilino)-3-cyclohexyl-propionic acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1CCCCC1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-25-17(22)14(9-11-5-3-2-4-6-11)19-13-8-7-12(16(18)21)10-15(13)20(23)24/h7-8,10-11,14,19H,2-6,9H2,1H3,(H2,18,21)/t14-/m0/s1