2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]terephthalate

Systemtic Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]terephthalate Openeye Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]terephthalate CAS Name: 2-[(2,4-dimethyl-6-nitroanilino)-oxomethyl]terephthalate IUPAC Name: 2-[(2,4-dimethyl-6-nitrophenyl)carbamoyl]terephthalate Traditional Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]terephthalate Formula: C17H12N2O7-2 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C17H14N2O7/c1-8-5-9(2)14(13(6-8)19(25)26)18-15(20)12-7-10(16(21)22)3-4-11(12)17(23)24/h3-7H,1-2H3,(H,18,20)(H,21,22)(H,23,24)/p-2