N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]propanamide

Systemtic Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]propanamide Openeye Name: N-[1-[(E)-3-(4-nitrophenyl)allyl]-4-oxo-3H-phthalazin-6-yl]propanamide CAS Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]propanamide IUPAC Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]propanamide Traditional Name: N-[4-keto-1-[(E)-3-(4-nitrophenyl)allyl]-3H-phthalazin-6-yl]propionamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=NNC2=O)C/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4/c1-2-19(25)21-14-8-11-16-17(12-14)20(26)23-22-18(16)5-3-4-13-6-9-15(10-7-13)24(27)28/h3-4,6-12H,2,5H2,1H3,(H,21,25)(H,23,26)/b4-3+