N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[5-(2-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide CAS Name: N-[(E)-3-[3-(1-imidazolyl)propylamino]-1-[5-(2-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[5-(2-nitrophenyl)-2-furyl]vinyl]-4-methyl-benzamide Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C27H25N5O5/c1-19-7-9-20(10-8-19)26(33)30-23(27(34)29-13-4-15-31-16-14-28-18-31)17-21-11-12-25(37-21)22-5-2-3-6-24(22)32(35)36/h2-3,5-12,14,16-18H,4,13,15H2,1H3,(H,29,34)(H,30,33)/b23-17+