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

Systemtic Name: N-[(E)-3-[(4-methylphenyl)amino]-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[(E)-2-(5-nitro-2-furyl)-1-(p-tolylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-3-(4-methylanilino)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(E)-3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(E)-2-(5-nitro-2-furyl)-1-(p-tolylcarbamoyl)vinyl]benzamide Formula: C21H16N4O7 MolecularWeight: 436.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H16N4O7/c1-13-5-7-15(8-6-13)22-21(27)18(12-17-9-10-19(32-17)25(30)31)23-20(26)14-3-2-4-16(11-14)24(28)29/h2-12H,1H3,(H,22,27)(H,23,26)/b18-12+