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

Systemtic Name: 1-chloranyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-phenyl-isoquinoline-3-carboxamide CAS Name: 1-chloro-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylisoquinoline-3-carboxamide Traditional Name: 1-chloro-N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-phenyl-isoquinoline-3-carboxamide Formula: C21H13ClN4O4 MolecularWeight: 420.80532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)Cl)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C3=CC=CC=C32)Cl)C(=O)N/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4/c22-20-16-9-5-4-8-15(16)18(13-6-2-1-3-7-13)19(24-20)21(27)25-23-12-14-10-11-17(30-14)26(28)29/h1-12H,(H,25,27)/b23-12+