[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H21N3O6/c1-11-8-14(12(2)20(11)3)17(23)10-27-18(24)15-9-13(21(25)26)4-5-16(15)19-6-7-22/h4-5,8-9,19,22H,6-7,10H2,1-3H3