3-(2-ethylhexanoylamino)-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-(2-ethylhexanoylamino)-4-(1-nitroethyl)benzoic acid Openeye Name: 3-(2-ethylhexanoylamino)-4-(1-nitroethyl)benzoic acid CAS Name: 3-[(2-ethyl-1-oxohexyl)amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-(2-ethylhexanoylamino)-4-(1-nitroethyl)benzoic acid Traditional Name: 3-(2-ethylhexanoylamino)-4-(1-nitroethyl)benzoic acid Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-4-6-7-12(5-2)16(20)18-15-10-13(17(21)22)8-9-14(15)11(3)19(23)24/h8-12H,4-7H2,1-3H3,(H,18,20)(H,21,22)