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

Systemtic Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitro-benzoate Openeye Name: 4-[ethyl(2-methylallyl)amino]-3-nitro-benzoate CAS Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitrobenzoate IUPAC Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3-nitrobenzoate Traditional Name: 4-[ethyl(2-methylallyl)amino]-3-nitro-benzoate Formula: C13H15N2O4- MolecularWeight: 263.2692

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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)/p-1