methyl 2-[(4-fluorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxylate Openeye Name: methyl 2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylate CAS Name: 2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-fluoroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylate Traditional Name: 2-(4-fluoroanilino)-4-keto-6-nitro-1H-quinazoline-8-carboxylic acid methyl ester Formula: C16H11FN4O5 MolecularWeight: 358.280743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN4O5/c1-26-15(23)12-7-10(21(24)25)6-11-13(12)19-16(20-14(11)22)18-9-4-2-8(17)3-5-9/h2-7H,1H3,(H2,18,19,20,22)