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

Systemtic Name: 1-(4-methylphenyl)-3-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]urea Openeye Name: 1-[1-[(E)-3-(4-nitrophenyl)allyl]-4-oxo-3H-phthalazin-6-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]urea Traditional Name: 1-[4-keto-1-[(E)-3-(4-nitrophenyl)allyl]-3H-phthalazin-6-yl]-3-(p-tolyl)urea Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=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/C25H21N5O4/c1-16-5-9-18(10-6-16)26-25(32)27-19-11-14-21-22(15-19)24(31)29-28-23(21)4-2-3-17-7-12-20(13-8-17)30(33)34/h2-3,5-15H,4H2,1H3,(H,29,31)(H2,26,27,32)/b3-2+