[4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(4-methoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-[(4-methoxyphenyl)carbamoyl]phenyl] ester Formula: C22H17N3O8 MolecularWeight: 451.38568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O8/c1-13-19(24(28)29)11-15(12-20(13)25(30)31)22(27)33-18-7-3-14(4-8-18)21(26)23-16-5-9-17(32-2)10-6-16/h3-12H,1-2H3,(H,23,26)