ethyl 4-[(3-hydroxyphenyl)amino]-6-(4-nitrophenyl)furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-hydroxyphenyl)amino]-6-(4-nitrophenyl)furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-hydroxyanilino)-6-(4-nitrophenyl)furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-(3-hydroxyanilino)-6-(4-nitrophenyl)-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxyanilino)-6-(4-nitrophenyl)furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-(3-hydroxyanilino)-6-(4-nitrophenyl)furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC=NC(=C12)NC3=CC(=CC=C3)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC=NC(=C12)NC3=CC(=CC=C3)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6/c1-2-30-21(27)16-17-19(24-13-4-3-5-15(26)10-13)22-11-23-20(17)31-18(16)12-6-8-14(9-7-12)25(28)29/h3-11,26H,2H2,1H3,(H,22,23,24)