ethyl 4-azanyl-2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17ClN4O7 MolecularWeight: 460.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H17ClN4O7/c1-3-30-20(27)16-10(2)32-19-17(16)18(22)23-14(24-19)9-31-15(26)7-5-11-4-6-12(21)13(8-11)25(28)29/h4-8H,3,9H2,1-2H3,(H2,22,23,24)/b7-5+