N-[(E)-[5-(2-methyl-4-nitro-phenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(E)-[5-(2-methyl-4-nitro-phenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(E)-[5-(2-methyl-4-nitro-phenyl)-2-furyl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(E)-[5-(2-methyl-4-nitrophenyl)-2-furanyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(E)-[5-(2-methyl-4-nitro-phenyl)-2-furyl]methyleneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N/NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H17N3O6/c1-13-10-15(24(26)27)3-5-17(13)18-7-4-16(30-18)12-22-23-21(25)14-2-6-19-20(11-14)29-9-8-28-19/h2-7,10-12H,8-9H2,1H3,(H,23,25)/b22-12+