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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C(CC#CC2=C(C=CC3=C2CC(=O)N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(NC=C1)/C=C(/CC#CC2=C(C=CC3=C2CC(=O)N3)[N+](=O)[O-])\C(=O)O

InChI

InChI=1S/C19H15N3O6/c1-28-17-7-8-20-15(17)9-11(19(24)25)3-2-4-12-13-10-18(23)21-14(13)5-6-16(12)22(26)27/h5-9,20H,3,10H2,1H3,(H,21,23)(H,24,25)/b11-9-