[4-(quinazolin-4-ylamino)phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-(quinazolin-4-ylamino)phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(quinazolin-4-ylamino)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-(4-quinazolinylamino)phenyl] ester IUPAC Name: [4-(quinazolin-4-ylamino)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(quinazolin-4-ylamino)phenyl] ester Formula: C22H15N5O6 MolecularWeight: 445.3844

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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)NC3=NC=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O6/c1-13-19(26(29)30)10-14(11-20(13)27(31)32)22(28)33-16-8-6-15(7-9-16)25-21-17-4-2-3-5-18(17)23-12-24-21/h2-12H,1H3,(H,23,24,25)