2-(4-methylpentan-2-ylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(4-methylpentan-2-ylamino)-5-nitro-benzoic acid Openeye Name: 2-(1,3-dimethylbutylamino)-5-nitro-benzoic acid CAS Name: 2-(4-methylpentan-2-ylamino)-5-nitrobenzoic acid IUPAC Name: 2-(4-methylpentan-2-ylamino)-5-nitrobenzoic acid Traditional Name: 2-(1,3-dimethylbutylamino)-5-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H18N2O4/c1-8(2)6-9(3)14-12-5-4-10(15(18)19)7-11(12)13(16)17/h4-5,7-9,14H,6H2,1-3H3,(H,16,17)