(4-nitrophenyl) N-[[4-[(3-chlorophenyl)amino]quinazolin-6-yl]diazenyl]-N-methyl-carbamate

Systemtic Name: (4-nitrophenyl) N-[[4-[(3-chlorophenyl)amino]quinazolin-6-yl]diazenyl]-N-methyl-carbamate Openeye Name: (4-nitrophenyl) N-[4-(3-chloroanilino)quinazolin-6-yl]azo-N-methyl-carbamate CAS Name: N-[[4-(3-chloroanilino)-6-quinazolinyl]azo]-N-methylcarbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[[4-(3-chloroanilino)quinazolin-6-yl]diazenyl]-N-methylcarbamate Traditional Name: N-[4-(3-chloroanilino)quinazolin-6-yl]azo-N-methyl-carbamic acid (4-nitrophenyl) ester Formula: C22H16ClN7O4 MolecularWeight: 477.85994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN7O4/c1-29(22(31)34-18-8-6-17(7-9-18)30(32)33)28-27-16-5-10-20-19(12-16)21(25-13-24-20)26-15-4-2-3-14(23)11-15/h2-13H,1H3,(H,24,25,26)