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

Systemtic Name: 5-[(3Z)-5-azanyl-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]pent-4-ynoic acid Openeye Name: 5-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]pent-4-ynoic acid CAS Name: 5-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]-4-pentynoic acid IUPAC Name: 5-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]pent-4-ynoic acid Traditional Name: 5-[(3Z)-5-amino-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]pent-4-ynoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CCCC(=O)O)N)NC2=O

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-26-16-8-9-21-15(16)10-12-18-11(4-2-3-5-17(23)24)13(20)6-7-14(18)22-19(12)25/h6-10,21H,3,5,20H2,1H3,(H,22,25)(H,23,24)/b12-10-