N-[(E)-1-(5-methylfuran-2-yl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-1-(5-methylfuran-2-yl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(5-methyl-2-furyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-3-anilino-1-(5-methyl-2-furanyl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-3-anilino-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(5-methyl-2-furyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C21H16N4O7 MolecularWeight: 436.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C(C(=O)NC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)/C=C(\C(=O)NC2=CC=CC=C2)/NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7/c1-13-7-8-18(32-13)12-19(21(27)22-15-5-3-2-4-6-15)23-20(26)14-9-16(24(28)29)11-17(10-14)25(30)31/h2-12H,1H3,(H,22,27)(H,23,26)/b19-12+