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

Systemtic Name: aniline; 4-(cyclohexylamino)-3-nitro-benzoic acid Openeye Name: aniline; 4-(cyclohexylamino)-3-nitro-benzoic acid CAS Name: aniline; 4-(cyclohexylamino)-3-nitrobenzoic acid IUPAC Name: aniline; 4-(cyclohexylamino)-3-nitrobenzoic acid Traditional Name: 4-(cyclohexylamino)-3-nitro-benzoic acid; phenylamine Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-].C1=CC=C(C=C1)N

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-].C1=CC=C(C=C1)N

InChI

InChI=1S/C13H16N2O4.C6H7N/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);1-5H,7H2