methyl 4-[4-[di(propan-2-yl)carbamoyl]-2,6-dinitro-phenyl]benzoate

Systemtic Name: methyl 4-[4-[di(propan-2-yl)carbamoyl]-2,6-dinitro-phenyl]benzoate Openeye Name: methyl 4-[4-(diisopropylcarbamoyl)-2,6-dinitro-phenyl]benzoate CAS Name: 4-[4-[[di(propan-2-yl)amino]-oxomethyl]-2,6-dinitrophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[di(propan-2-yl)carbamoyl]-2,6-dinitrophenyl]benzoate Traditional Name: 4-[4-(diisopropylcarbamoyl)-2,6-dinitro-phenyl]benzoic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-12(2)22(13(3)4)20(25)16-10-17(23(27)28)19(18(11-16)24(29)30)14-6-8-15(9-7-14)21(26)31-5/h6-13H,1-5H3