4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-9-4-2-3-5-11(9)15-12-7-6-10(14(17)18)8-13(12)16(19)20/h6-9,11,15H,2-5H2,1H3,(H,17,18)/t9-,11-/m0/s1