methanamine; 2-[1-(4-nitrophenyl)carbonylcyclohexyl]ethanoic acid

Systemtic Name: methanamine; 2-[1-(4-nitrophenyl)carbonylcyclohexyl]ethanoic acid Openeye Name: methanamine; 2-[1-(4-nitrobenzoyl)cyclohexyl]acetic acid CAS Name: methanamine; 2-[1-[(4-nitrophenyl)-oxomethyl]cyclohexyl]acetic acid IUPAC Name: methanamine; 2-[1-(4-nitrobenzoyl)cyclohexyl]acetic acid Traditional Name: methylamine; 2-[1-(4-nitrobenzoyl)cyclohexyl]acetic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1CCC(CC1)(CC(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN.C1CCC(CC1)(CC(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17NO5.CH5N/c17-13(18)10-15(8-2-1-3-9-15)14(19)11-4-6-12(7-5-11)16(20)21;1-2/h4-7H,1-3,8-10H2,(H,17,18);2H2,1H3