3-[(5-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-phenyl-pyrrol-3-yl)azaniumyl]benzoate

Systemtic Name: 3-[(5-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-phenyl-pyrrol-3-yl)azaniumyl]benzoate Openeye Name: 3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-pyrrol-3-yl)ammonio]benzoate CAS Name: 3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3-pyrrolyl)ammonio]benzoate IUPAC Name: 3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)azaniumyl]benzoate Traditional Name: 3-[(5-carbethoxy-2-keto-5-methyl-1-phenyl-3-pyrrolin-3-yl)ammonio]benzoate Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)[NH2+]C3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)[NH2+]C3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C21H20N2O5/c1-3-28-20(27)21(2)13-17(18(24)23(21)16-10-5-4-6-11-16)22-15-9-7-8-14(12-15)19(25)26/h4-13,22H,3H2,1-2H3,(H,25,26)