ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(2-chloro-4-quinazolinyl)amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloroquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H15ClN4O4S/c1-2-30-20(27)17-15(12-7-9-13(10-8-12)26(28)29)11-31-19(17)24-18-14-5-3-4-6-16(14)23-21(22)25-18/h3-11H,2H2,1H3,(H,23,24,25)