[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl] 3-nitrobenzoate Openeye Name: [3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]phenyl] ester IUPAC Name: [3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]phenyl] ester Formula: C23H16N4O6 MolecularWeight: 444.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O6/c28-21(13-26-14-24-20-10-2-1-9-19(20)22(26)29)25-16-6-4-8-18(12-16)33-23(30)15-5-3-7-17(11-15)27(31)32/h1-12,14H,13H2,(H,25,28)