2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]ethanoic acid

Systemtic Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]ethanoic acid Openeye Name: 2-[3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-phenyl]acetic acid CAS Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]acetic acid IUPAC Name: 2-[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]acetic acid Traditional Name: 2-[3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-phenyl]acetic acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-5-10(6-2)17-15-13(18(22)23)7-11(9(3)4)12(8-14(20)21)16(15)19(24)25/h7,9-10,17H,5-6,8H2,1-4H3,(H,20,21)