ethyl 4-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate

Systemtic Name: ethyl 4-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: ethyl 4-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 4-[7-cyano-4-(3-nitrophenyl)-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C22H15N5O4 MolecularWeight: 413.3856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H15N5O4/c1-2-31-22(28)14-6-8-17(9-7-14)26-12-16(11-23)20-21(26)19(24-13-25-20)15-4-3-5-18(10-15)27(29)30/h3-10,12-13H,2H2,1H3