[2-[4-[(2,4-dinitrophenyl)-methyl-amino]-2-methyl-4-oxidanylidene-butan-2-yl]-3,5-dimethyl-phenyl] propanoate

Systemtic Name: [2-[4-[(2,4-dinitrophenyl)-methyl-amino]-2-methyl-4-oxidanylidene-butan-2-yl]-3,5-dimethyl-phenyl] propanoate Openeye Name: [2-[1,1-dimethyl-3-(N-methyl-2,4-dinitro-anilino)-3-oxo-propyl]-3,5-dimethyl-phenyl] propanoate CAS Name: propanoic acid [3,5-dimethyl-2-[2-methyl-4-(N-methyl-2,4-dinitroanilino)-4-oxobutan-2-yl]phenyl] ester IUPAC Name: [3,5-dimethyl-2-[2-methyl-4-(N-methyl-2,4-dinitroanilino)-4-oxobutan-2-yl]phenyl] propanoate Traditional Name: propionic acid [2-[3-keto-1,1-dimethyl-3-(N-methyl-2,4-dinitro-anilino)propyl]-3,5-dimethyl-phenyl] ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)N(C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)N(C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C

InChI

InChI=1S/C23H27N3O7/c1-7-21(28)33-19-11-14(2)10-15(3)22(19)23(4,5)13-20(27)24(6)17-9-8-16(25(29)30)12-18(17)26(31)32/h8-12H,7,13H2,1-6H3