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

Systemtic Name: 1-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]-3-pyridin-3-yl-urea Openeye Name: 1-[1-[(E)-3-(4-nitrophenyl)allyl]-4-oxo-3H-phthalazin-6-yl]-3-(3-pyridyl)urea CAS Name: 1-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]-3-(3-pyridinyl)urea IUPAC Name: 1-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea Traditional Name: 1-[4-keto-1-[(E)-3-(4-nitrophenyl)allyl]-3H-phthalazin-6-yl]-3-(3-pyridyl)urea Formula: C23H18N6O4 MolecularWeight: 442.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)C/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4/c30-22-20-13-16(25-23(31)26-17-4-2-12-24-14-17)8-11-19(20)21(27-28-22)5-1-3-15-6-9-18(10-7-15)29(32)33/h1-4,6-14H,5H2,(H,28,30)(H2,25,26,31)/b3-1+