ethyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-2-nitro-benzoate

Systemtic Name: ethyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-2-nitro-benzoate Openeye Name: ethyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-2-nitro-benzoate CAS Name: 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)-2-nitrobenzoate Traditional Name: 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-2-nitro-benzoic acid ethyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-4-23-16(20)14-6-5-13(8-15(14)18(21)22)17-10(2)7-12(9-19)11(17)3/h5-9H,4H2,1-3H3