1-methoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: 1-methoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 1-methoxy-N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-phenyl-isoquinoline-3-carboxamide CAS Name: 1-methoxy-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 1-methoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylisoquinoline-3-carboxamide Traditional Name: 1-methoxy-N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-phenyl-isoquinoline-3-carboxamide Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)N/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5/c1-30-22-17-10-6-5-9-16(17)19(14-7-3-2-4-8-14)20(24-22)21(27)25-23-13-15-11-12-18(31-15)26(28)29/h2-13H,1H3,(H,25,27)/b23-13+