methyl 3-nitro-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-nitro-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-nitro-5-pyrrol-1-yl-benzoate CAS Name: 3-nitro-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-pyrrol-1-ylbenzoate Traditional Name: 3-nitro-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2

InChI

InChI=1S/C12H10N2O4/c1-18-12(15)9-6-10(13-4-2-3-5-13)8-11(7-9)14(16)17/h2-8H,1H3