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

Systemtic Name: 5-[ethyl(propan-2-yl)amino]-2-nitro-benzoic acid Openeye Name: 5-[ethyl(isopropyl)amino]-2-nitro-benzoic acid CAS Name: 5-[ethyl(propan-2-yl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[ethyl(propan-2-yl)amino]-2-nitrobenzoic acid Traditional Name: 5-[ethyl(isopropyl)amino]-2-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-4-13(8(2)3)9-5-6-11(14(17)18)10(7-9)12(15)16/h5-8H,4H2,1-3H3,(H,15,16)