ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitro-benzoate

Systemtic Name: ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitro-benzoate Openeye Name: ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitro-benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-2-nitro-benzoic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O4/c1-4-21-15(18)13-8-7-12(9-14(13)17(19)20)16-10(2)5-6-11(16)3/h5-9H,4H2,1-3H3