[2-[(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(4-ketoquinazolin-3-yl)iminomethyl]phenyl] ester Formula: C22H13N5O7 MolecularWeight: 459.36792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C=NC3=CC=CC=C3C2=O)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=NN2C=NC3=CC=CC=C3C2=O)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H13N5O7/c28-21-18-6-2-3-7-19(18)23-13-25(21)24-12-14-5-1-4-8-20(14)34-22(29)15-9-16(26(30)31)11-17(10-15)27(32)33/h1-13H