ethyl 3-[3-(7-chloranyl-6-nitro-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-(7-chloranyl-6-nitro-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-(7-chloro-6-nitro-4-oxo-quinazolin-3-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-(7-chloro-6-nitro-4-oxo-3-quinazolinyl)-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(7-chloro-6-nitro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-(7-chloro-4-keto-6-nitro-quinazolin-3-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H18ClN3O7 MolecularWeight: 447.82582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C20H18ClN3O7/c1-2-30-20(27)12-4-3-5-14(6-12)31-10-13(25)9-23-11-22-17-8-16(21)18(24(28)29)7-15(17)19(23)26/h3-8,11,13,25H,2,9-10H2,1H3