7-[2-azanyl-6-nitro-3-[(E)-2-phenylethenyl]phenyl]heptyl 2-methylprop-2-eneperoxoate

Systemtic Name: 7-[2-azanyl-6-nitro-3-[(E)-2-phenylethenyl]phenyl]heptyl 2-methylprop-2-eneperoxoate Openeye Name: 7-[2-amino-6-nitro-3-[(E)-styryl]phenyl]heptyl 2-methylprop-2-eneperoxoate CAS Name: 2-methyl-2-propeneperoxoic acid 7-[2-amino-6-nitro-3-[(E)-2-phenylethenyl]phenyl]heptyl ester IUPAC Name: 7-[2-amino-6-nitro-3-[(E)-2-phenylethenyl]phenyl]heptyl 2-methylprop-2-eneperoxoate Traditional Name: 2-methylperoxyacrylic acid 7-[2-amino-6-nitro-3-[(E)-styryl]phenyl]heptyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OOCCCCCCCC1=C(C=CC(=C1N)C=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C(=O)OOCCCCCCCC1=C(C=CC(=C1N)/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H30N2O5/c1-19(2)25(28)32-31-18-10-5-3-4-9-13-22-23(27(29)30)17-16-21(24(22)26)15-14-20-11-7-6-8-12-20/h6-8,11-12,14-17H,1,3-5,9-10,13,18,26H2,2H3/b15-14+