7-azanyl-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2H-phthalazin-1-one

Systemtic Name: 7-azanyl-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2H-phthalazin-1-one Openeye Name: 7-amino-4-[(E)-3-(4-nitrophenyl)allyl]-2H-phthalazin-1-one CAS Name: 7-amino-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2H-phthalazin-1-one IUPAC Name: 7-amino-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2H-phthalazin-1-one Traditional Name: 7-amino-4-[(E)-3-(4-nitrophenyl)allyl]-2H-phthalazin-1-one Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC2=NNC(=O)C3=C2C=CC(=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/CC2=NNC(=O)C3=C2C=CC(=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3/c18-12-6-9-14-15(10-12)17(22)20-19-16(14)3-1-2-11-4-7-13(8-5-11)21(23)24/h1-2,4-10H,3,18H2,(H,20,22)/b2-1+