sodium 3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: sodium 3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanylidene-propanoate Openeye Name: sodium 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxo-propanoate CAS Name: sodium 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxopropanoate IUPAC Name: sodium 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxopropanoate Traditional Name: sodium 2-keto-3-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propionate Formula: C17H14NNaO5 MolecularWeight: 335.28653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15NO5.Na/c1-9-3-4-12-14(5-9)23-8-10-6-11(7-13(19)17(21)22)18(2)15(10)16(12)20;/h3-6H,7-8H2,1-2H3,(H,21,22);/q;+1/p-1