4-[[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]-2H-phthalazin-1-one Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CN/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c21-15-6-5-11(20(23)24)7-10(15)8-17-9-14-12-3-1-2-4-13(12)16(22)19-18-14/h1-8,17H,9H2,(H,19,22)/b10-8+