5-[ethyl(2-methylpropyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[ethyl(2-methylpropyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[ethyl(isobutyl)amino]-2-nitro-benzoic acid CAS Name: 5-[ethyl(2-methylpropyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[ethyl(2-methylpropyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[ethyl(isobutyl)amino]-2-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-14(8-9(2)3)10-5-6-12(15(18)19)11(7-10)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)