3-nitro-N-[(Z)-3-oxidanylidene-3-(3-oxidanylpropylamino)-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide

Systemtic Name: 3-nitro-N-[(Z)-3-oxidanylidene-3-(3-oxidanylpropylamino)-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(3-hydroxypropylcarbamoyl)-2-(4-isopropoxyphenyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(3-hydroxypropylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(3-hydroxypropylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(3-hydroxypropylcarbamoyl)-2-(4-isopropoxyphenyl)vinyl]-3-nitro-benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCCO)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(/C(=O)NCCCO)\NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-15(2)31-19-9-7-16(8-10-19)13-20(22(28)23-11-4-12-26)24-21(27)17-5-3-6-18(14-17)25(29)30/h3,5-10,13-15,26H,4,11-12H2,1-2H3,(H,23,28)(H,24,27)/b20-13-