5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoic acid

Systemtic Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoic acid Openeye Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2-oxo-indolin-4-yl]pent-4-ynoic acid CAS Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-1H-indol-4-yl]-4-pentynoic acid IUPAC Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-1H-indol-4-yl]pent-4-ynoic acid Traditional Name: 5-[(3Z)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-indolin-4-yl]pent-4-ynoic acid Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CCCC(=O)O)[N+](=O)[O-])NC2=O

Isomeric SMILES

COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C#CCCC(=O)O)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C19H15N3O6/c1-28-16-8-9-20-14(16)10-12-18-11(4-2-3-5-17(23)24)15(22(26)27)7-6-13(18)21-19(12)25/h6-10,20H,3,5H2,1H3,(H,21,25)(H,23,24)/b12-10-