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

Systemtic Name: N-[(E)-1-(4-hydroxyphenyl)-3-oxidanylidene-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(E)-2-(4-hydroxyphenyl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide CAS Name: N-[(E)-1-(4-hydroxyphenyl)-3-oxo-3-(2-pyridinylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-1-(4-hydroxyphenyl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(E)-2-(4-hydroxyphenyl)-1-(2-pyridylcarbamoyl)vinyl]-3,5-dinitro-benzamide Formula: C21H15N5O7 MolecularWeight: 449.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=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=NC(=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/C21H15N5O7/c27-17-6-4-13(5-7-17)9-18(21(29)24-19-3-1-2-8-22-19)23-20(28)14-10-15(25(30)31)12-16(11-14)26(32)33/h1-12,27H,(H,23,28)(H,22,24,29)/b18-9+