cyclohexanamine; 4-(cyclohexylamino)-3-nitro-benzoic acid

Systemtic Name: cyclohexanamine; 4-(cyclohexylamino)-3-nitro-benzoic acid Openeye Name: cyclohexanamine; 4-(cyclohexylamino)-3-nitro-benzoic acid CAS Name: cyclohexanamine; 4-(cyclohexylamino)-3-nitrobenzoic acid IUPAC Name: cyclohexanamine; 4-(cyclohexylamino)-3-nitrobenzoic acid Traditional Name: cyclohexylamine; 4-(cyclohexylamino)-3-nitro-benzoic acid Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1CCC(CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N.C1CCC(CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4.C6H13N/c16-13(17)9-6-7-11(12(8-9)15(18)19)14-10-4-2-1-3-5-10;7-6-4-2-1-3-5-6/h6-8,10,14H,1-5H2,(H,16,17);6H,1-5,7H2