N-[(E)-3-[(4-ethylphenyl)amino]-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(E)-3-[(4-ethylphenyl)amino]-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(E)-1-[(4-ethylphenyl)carbamoyl]-2-(5-nitro-2-furyl)vinyl]-3-nitro-benzamide CAS Name: N-[(E)-3-(4-ethylanilino)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(E)-3-(4-ethylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(E)-1-[(4-ethylphenyl)carbamoyl]-2-(5-nitro-2-furyl)vinyl]-3-nitro-benzamide Formula: C22H18N4O7 MolecularWeight: 450.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O7/c1-2-14-6-8-16(9-7-14)23-22(28)19(13-18-10-11-20(33-18)26(31)32)24-21(27)15-4-3-5-17(12-15)25(29)30/h3-13H,2H2,1H3,(H,23,28)(H,24,27)/b19-13+