4-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18N4O5/c22-17(23)11-6-8-12(9-7-11)20-15-14(21(24)25)16(19-10-18-15)26-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,23)(H,18,19,20)