cyclohexanamine; 4-nitrobenzaldehyde; 2-phenylethanoic acid

Systemtic Name: cyclohexanamine; 4-nitrobenzaldehyde; 2-phenylethanoic acid Openeye Name: cyclohexanamine; 4-nitrobenzaldehyde; 2-phenylacetic acid CAS Name: cyclohexanamine; 4-nitrobenzaldehyde; 2-phenylacetic acid IUPAC Name: cyclohexanamine; 4-nitrobenzaldehyde; 2-phenylacetic acid Traditional Name: cyclohexylamine; 4-nitrobenzaldehyde; 2-phenylacetic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1=CC=C(C=C1)CC(=O)O.C1=CC(=CC=C1C=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N.C1=CC=C(C=C1)CC(=O)O.C1=CC(=CC=C1C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H8O2.C7H5NO3.C6H13N/c9-8(10)6-7-4-2-1-3-5-7;9-5-6-1-3-7(4-2-6)8(10)11;7-6-4-2-1-3-5-6/h1-5H,6H2,(H,9,10);1-5H;6H,1-5,7H2