N-[(E)-1-(4,5-dimethoxy-2-nitro-phenyl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-1-(4,5-dimethoxy-2-nitro-phenyl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-hydroxypropylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-hydroxypropylcarbamoyl)vinyl]benzamide Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C(=O)NCCCO)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C(=O)NCCCO)/NC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O7/c1-30-18-12-15(17(24(28)29)13-19(18)31-2)11-16(21(27)22-9-6-10-25)23-20(26)14-7-4-3-5-8-14/h3-5,7-8,11-13,25H,6,9-10H2,1-2H3,(H,22,27)(H,23,26)/b16-11+