ethyl 8-fluoranyl-3-(4-nitrophenyl)carbonyl-pyrrolo[1,2-c]quinazoline-1-carboxylate

Systemtic Name: ethyl 8-fluoranyl-3-(4-nitrophenyl)carbonyl-pyrrolo[1,2-c]quinazoline-1-carboxylate Openeye Name: ethyl 8-fluoro-3-(4-nitrobenzoyl)pyrrolo[1,2-c]quinazoline-1-carboxylate CAS Name: 8-fluoro-3-[(4-nitrophenyl)-oxomethyl]-1-pyrrolo[1,2-c]quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-3-(4-nitrobenzoyl)pyrrolo[1,2-c]quinazoline-1-carboxylate Traditional Name: 8-fluoro-3-(4-nitrobenzoyl)pyrrolo[1,2-c]quinazoline-1-carboxylic acid ethyl ester Formula: C21H14FN3O5 MolecularWeight: 407.351363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=C(C=C(C=C3)F)N=CN2C(=C1)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2C3=C(C=C(C=C3)F)N=CN2C(=C1)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O5/c1-2-30-21(27)16-10-18(20(26)12-3-6-14(7-4-12)25(28)29)24-11-23-17-9-13(22)5-8-15(17)19(16)24/h3-11H,2H2,1H3