4-[ethyl(2-methylprop-2-enyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[ethyl(2-methylallyl)amino]-3-nitro-benzoic acid CAS Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[ethyl(2-methylallyl)amino]-3-nitro-benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-4-14(8-9(2)3)11-6-5-10(13(16)17)7-12(11)15(18)19/h5-7H,2,4,8H2,1,3H3,(H,16,17)