N-[(E)-1-(4-hydroxyphenyl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-1-(4-hydroxyphenyl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(4-hydroxyphenyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-3-anilino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-3-anilino-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(4-hydroxyphenyl)-1-(phenylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O7/c27-19-8-6-14(7-9-19)10-20(22(29)23-16-4-2-1-3-5-16)24-21(28)15-11-17(25(30)31)13-18(12-15)26(32)33/h1-13,27H,(H,23,29)(H,24,28)/b20-10+