[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C22H14BrN5O6 MolecularWeight: 524.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrN5O6/c1-12-19(27(30)31)7-13(8-20(12)28(32)33)22(29)34-16-4-2-3-15(10-16)26-21-17-9-14(23)5-6-18(17)24-11-25-21/h2-11H,1H3,(H,24,25,26)