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

Systemtic Name: methyl 2-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: methyl 2-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 2-[7-cyano-4-(3-nitrophenyl)-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 2-[7-cyano-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid methyl ester Formula: C21H13N5O4 MolecularWeight: 399.35902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=C(C3=C2C(=NC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H13N5O4/c1-30-21(27)16-7-2-3-8-17(16)25-11-14(10-22)19-20(25)18(23-12-24-19)13-5-4-6-15(9-13)26(28)29/h2-9,11-12H,1H3